data_2jvf_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 2jvf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.0 tptt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -141.92 89.33 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.64 112.0 23.59 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.75 90.27 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m -104.93 116.87 32.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.897 -0.502 . . . . 0.0 110.442 -170.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.81 106.16 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -94.13 109.51 21.28 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 119.308 0.958 . . . . 0.0 109.469 164.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -89.33 110.92 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -86.84 107.69 18.42 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.822 0.82 . . . . 0.0 108.797 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -103.62 -175.25 2.75 Favored 'General case' 0 CA--C 1.571 1.775 0 CA-C-O 122.852 1.311 . . . . 0.0 111.773 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.06 91.2 0.07 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.69 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.78 79.36 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 120.166 2.826 . . . . 0.0 120.166 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -160.02 131.47 5.97 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.912 1.856 . . . . 0.0 109.544 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.27 136.24 33.24 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.418 0.628 . . . . 0.0 112.158 160.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.39 105.96 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -105.78 125.9 51.53 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.289 0.566 . . . . 0.0 111.551 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 pt -132.94 126.07 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.21 0.604 . . . . 0.0 109.537 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -110.93 129.68 55.81 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.441 0.696 . . . . 0.0 111.395 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.1 mm -116.61 82.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -96.8 121.25 38.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.787 -1.195 . . . . 0.0 113.354 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.93 138.58 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.613 -0.679 . . . . 0.0 111.699 -158.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -121.41 105.93 10.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.969 -1.082 . . . . 0.0 109.474 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -160.37 -66.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.1 130.82 5.55 Favored Glycine 0 N--CA 1.484 1.864 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -155.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.355 64.7 mmtt 77.52 -34.98 0.2 Allowed 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 168.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' CD ' ' HE ' ' A' ' 29' ' ' ARG . 4.9 mm-40 -61.95 -30.73 71.11 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 161.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.47 -54.32 42.5 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 119.902 1.228 . . . . 0.0 113.747 163.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.44 -49.36 74.79 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.506 ' HE ' ' CD ' ' A' ' 26' ' ' GLU . 25.9 mtp85 -58.38 -49.05 78.62 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 172.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.81 87.28 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 166.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.8 -42.14 64.81 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -59.55 -49.71 76.7 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 169.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.2 -36.05 80.92 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.83 -44.26 94.15 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 168.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -58.72 4.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -50.36 -48.39 55.66 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 166.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.96 82.52 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.78 -45.52 74.28 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -47.72 77.49 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -60.84 -47.08 87.98 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.75 65.9 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.03 63.25 2.58 Favored Glycine 0 N--CA 1.488 2.164 0 CA-C-N 119.53 1.059 . . . . 0.0 114.597 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 94.77 9.98 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.682 0.753 . . . . 0.0 112.326 -169.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -72.72 -36.55 67.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -125.14 112.27 16.27 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 119.635 1.107 . . . . 0.0 108.242 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.62 124.77 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.144 -0.973 . . . . 0.0 109.557 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -99.33 104.08 15.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 165.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.25 113.77 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 m -108.81 112.62 24.98 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.76 105.7 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -75.07 84.87 2.31 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 124.786 1.234 . . . . 0.0 111.737 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.15 154.84 17.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -166.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.56 -37.0 57.3 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -146.73 171.34 15.31 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.544 1.164 . . . . 0.0 112.12 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.75 -44.43 85.91 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.2 -42.79 99.37 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.04 -53.72 49.13 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 163.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.28 55.15 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HZ3' ' CD ' ' A' ' 63' ' ' GLU . 9.5 tmtt? -56.84 -61.64 2.3 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 120.574 1.534 . . . . 0.0 113.92 169.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -70.24 -28.72 65.48 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.1 -45.45 91.99 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.349 1.886 . . . . 0.0 114.029 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.14 -55.7 6.67 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 163.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' A' ' 59' ' ' LYS . 38.1 mt-10 -72.1 -34.2 68.44 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 175.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.6 -44.55 69.51 Favored 'General case' 0 N--CA 1.505 2.306 0 CA-C-N 123.069 2.668 . . . . 0.0 116.069 162.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.31 -47.82 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.031 0 CA-C-N 119.524 1.057 . . . . 0.0 112.452 170.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.22 71.89 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -50.51 -47.38 57.38 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 166.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.12 -59.54 4.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.41 -31.3 62.27 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -63.6 -35.2 79.73 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -47.22 85.28 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 120.971 1.714 . . . . 0.0 114.729 165.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.2 -43.06 87.83 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.71 68.2 0.57 Allowed Glycine 0 N--CA 1.487 2.08 0 CA-C-N 119.457 1.026 . . . . 0.0 114.573 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.88 123.78 50.03 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.068 0.547 . . . . 0.0 110.484 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.62 -44.65 56.5 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.67 80.72 1.94 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.192 0.905 . . . . 0.0 110.083 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.2 mt -96.78 95.92 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -166.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 102.86 12.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.504 -0.747 . . . . 0.0 110.792 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -88.85 134.37 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -133.03 123.8 26.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 109.184 155.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.47 115.7 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -88.96 83.58 6.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.12 -89.96 0.5 Allowed Glycine 0 N--CA 1.492 2.396 0 O-C-N 121.917 -0.489 . . . . 0.0 113.926 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.2 p -104.68 -10.08 17.74 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 166.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.21 105.79 18.05 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.501 1.5 . . . . 0.0 109.985 -165.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -93.38 100.98 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -165.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -91.49 120.19 32.1 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.272 0.942 . . . . 0.0 111.524 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.9 mt -115.79 111.0 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -95.13 111.32 23.16 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.59 123.12 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 123.103 0.561 . . . . 0.0 111.739 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -120.57 121.82 39.21 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.023 0.439 . . . . 0.0 110.388 -172.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 122.775 1.274 . . . . 0.0 108.59 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.7 mttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.36 91.63 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.75 119.23 33.02 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.897 -0.502 . . . . 0.0 110.393 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.06 86.08 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -86.49 104.97 16.46 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 122.014 0.912 . . . . 0.0 109.088 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.3 mt -95.21 134.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.004 0.922 . . . . 0.0 109.157 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -126.5 102.42 7.11 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 156.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 pt -98.84 116.45 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.28 -0.887 . . . . 0.0 110.778 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.1 102.72 15.37 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -94.8 83.28 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.433 1.093 . . . . 0.0 111.053 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.9 55.09 10.08 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.95 -48.17 1.16 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -163.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -79.26 100.52 7.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 118.687 1.243 . . . . 0.0 112.948 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.28 107.27 11.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.011 -1.056 . . . . 0.0 111.659 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -103.25 112.53 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -116.92 138.44 51.54 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -164.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -145.28 121.19 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' CG ' HH21 ' A' ' 20' ' ' ARG . 6.6 p-10 -95.05 105.4 17.32 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.584 -0.698 . . . . 0.0 111.113 168.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.65 94.19 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 HH21 ' CG ' ' A' ' 18' ' ' ASP . 2.5 ptp85 -93.15 97.12 10.46 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 123.244 0.617 . . . . 0.0 111.971 -171.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -144.05 88.94 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 -161.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.0 p -93.99 85.51 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.546 -1.346 . . . . 0.0 111.746 172.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -166.62 155.87 11.03 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.914 0.885 . . . . 0.0 109.814 -164.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.69 -64.19 1.91 Allowed Glycine 0 N--CA 1.495 2.569 0 O-C-N 120.77 -1.206 . . . . 0.0 114.397 165.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.89 140.26 51.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 122.389 -0.477 . . . . 0.0 111.791 168.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.4 46.0 mt-10 89.83 -51.4 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.498 1.119 . . . . 0.0 113.891 -165.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -55.28 -53.52 55.06 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 120.388 1.449 . . . . 0.0 114.866 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.06 -41.71 92.96 Favored 'General case' 0 CA--C 1.575 1.923 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 171.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.85 -46.13 90.79 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 169.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -52.53 65.19 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 166.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -49.21 -49.17 44.13 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.5 -21.0 61.27 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -87.98 -32.34 18.9 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 122.334 2.334 . . . . 0.0 115.257 163.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.24 -42.3 99.2 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.367 -1.458 . . . . 0.0 114.873 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -50.37 -42.07 52.8 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 160.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -66.99 -50.58 61.79 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.362 1.465 . . . . 0.0 113.77 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.08 63.93 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 165.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.37 -55.15 14.95 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-N 120.05 1.295 . . . . 0.0 114.41 166.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.32 62.1 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -80.45 63.66 4.98 Favored 'General case' 0 CA--C 1.579 2.07 0 CA-C-O 122.301 1.048 . . . . 0.0 112.211 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.45 -61.27 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 125.264 1.425 . . . . 0.0 111.049 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.74 78.74 0.98 Allowed Glycine 0 N--CA 1.487 2.089 0 CA-C-N 119.527 1.058 . . . . 0.0 114.314 -172.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.81 150.84 21.41 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-O 121.759 0.79 . . . . 0.0 112.919 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -80.15 -69.71 0.57 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.72 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -107.15 112.09 24.83 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.729 1.149 . . . . 0.0 109.528 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.87 97.68 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -108.35 103.51 12.68 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.402 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -110.43 116.11 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -94.94 111.83 23.59 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.271 11.9 mt -100.97 103.48 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 p -90.97 104.94 17.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.783 -0.573 . . . . 0.0 111.973 -177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.36 169.26 9.68 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.47 -33.24 54.69 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.84 158.13 44.59 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 119.759 1.163 . . . . 0.0 111.312 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.59 -47.56 85.08 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.77 -41.09 90.33 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 166.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.52 -41.94 95.44 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.81 82.04 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 163.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -55.54 -49.58 72.27 Favored 'General case' 0 CA--C 1.577 2.007 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 166.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.72 -43.4 85.25 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 171.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.38 -46.29 80.69 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.9 tp -45.22 -54.53 6.86 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 121.114 1.779 . . . . 0.0 115.774 164.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.7 -48.55 77.45 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 168.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -48.7 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.626 1.103 . . . . 0.0 112.421 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.28 -43.64 64.55 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -56.67 -42.43 78.99 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 116.015 1.858 . . . . 0.0 116.015 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.02 -48.63 80.9 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 166.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.1 mt -50.55 -47.69 57.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -57.98 -44.85 87.35 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -62.28 -43.56 98.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 168.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.55 -45.31 93.55 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.52 38.05 3.82 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.82 165.14 25.65 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.721 1.26 . . . . 0.0 113.967 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -111.01 -59.7 1.93 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.361 -0.837 . . . . 0.0 111.823 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.11 106.19 18.32 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.6 107.65 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -117.2 124.78 49.95 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 123.728 0.811 . . . . 0.0 111.568 -175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -106.74 128.22 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.271 -0.893 . . . . 0.0 109.412 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -129.84 104.65 7.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.048 -1.033 . . . . 0.0 109.679 165.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -95.63 105.78 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -92.02 83.95 5.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.479 -0.763 . . . . 0.0 110.076 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.73 -95.55 0.71 Allowed Glycine 0 N--CA 1.49 2.245 0 O-C-N 121.812 -0.555 . . . . 0.0 113.675 -172.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.5 p -110.74 1.38 17.81 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 166.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.0 97.96 7.0 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.595 1.543 . . . . 0.0 110.494 173.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.4 t -87.49 91.18 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -83.32 110.14 17.86 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.447 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.87 104.6 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.557 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -106.97 104.02 13.59 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.42 1.088 . . . . 0.0 109.642 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.1 m -123.46 137.09 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -134.38 161.93 33.62 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 123.15 1.452 . . . . 0.0 112.918 170.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.92 1.343 . . . . 0.0 109.025 -163.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.8 tttt . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.45 111.91 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.147 -0.971 . . . . 0.0 111.567 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.22 118.61 18.33 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 123.258 0.623 . . . . 0.0 110.921 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.275 38.0 pt -105.11 94.63 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -103.55 105.34 15.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.64 109.3 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -170.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -97.48 110.6 23.13 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.759 0.79 . . . . 0.0 111.203 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.8 mt -88.93 102.01 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.1 103.83 16.29 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.552 0.692 . . . . 0.0 110.24 -172.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -117.56 157.5 26.23 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.505 0.722 . . . . 0.0 110.89 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -61.91 116.83 5.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.919 -1.113 . . . . 0.0 112.802 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.37 -32.95 6.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 118.411 2.124 . . . . 0.0 118.411 -168.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -136.56 115.21 12.01 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.1 1.95 . . . . 0.0 110.233 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -86.72 111.29 20.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.527 -0.733 . . . . 0.0 109.035 160.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.7 mt -102.91 82.39 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -78.7 112.55 15.93 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.306 1.05 . . . . 0.0 112.514 168.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 pt -108.47 118.35 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.294 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -116.81 98.55 6.57 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 122.245 1.022 . . . . 0.0 113.162 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.48 134.28 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 C-N-CA 124.219 1.008 . . . . 0.0 108.831 -170.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -109.09 99.74 9.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 119.585 -1.947 . . . . 0.0 110.622 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.08 150.99 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 122.818 1.295 . . . . 0.0 114.442 -162.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -87.22 102.92 14.94 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.369 1.068 . . . . 0.0 109.963 167.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.24 87.21 3.07 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -160.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.16 -82.7 0.04 OUTLIER Glycine 0 N--CA 1.487 2.084 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 158.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.04 -30.91 67.22 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 167.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -67.27 -48.5 67.53 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.996 1.725 . . . . 0.0 113.853 168.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -47.33 -55.17 9.31 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -54.92 -49.11 72.09 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -67.85 -43.85 78.53 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.51 73.22 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 166.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 tp -50.93 -47.0 61.11 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.3 -47.01 87.85 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 168.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.15 -37.29 69.43 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.69 -43.04 89.88 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 164.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 34.8 tt0 -51.31 -51.96 49.55 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 160.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -54.93 -53.18 58.84 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.23 93.62 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.866 2.172 . . . . 0.0 116.866 172.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.0 -49.31 68.22 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.24 86.54 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -81.79 47.13 1.05 Allowed 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 119.29 0.95 . . . . 0.0 113.487 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.95 -63.9 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.834 1.254 . . . . 0.0 111.599 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.48 67.6 1.79 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.48 143.26 26.92 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -59.64 -47.06 87.08 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -123.44 136.23 54.5 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 119.232 0.924 . . . . 0.0 109.698 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.31 126.03 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.81 -1.181 . . . . 0.0 108.623 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -125.57 103.39 7.84 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.065 0.546 . . . . 0.0 111.116 -167.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.65 114.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -105.31 115.1 29.69 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 118.726 0.694 . . . . 0.0 109.45 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mm -109.73 108.95 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 t -81.22 84.13 6.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.463 -0.773 . . . . 0.0 112.017 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.95 155.28 25.31 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -164.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.42 -42.92 67.68 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -136.03 157.75 46.07 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.155 0.982 . . . . 0.0 111.062 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -57.48 -42.68 83.1 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.662 2.467 . . . . 0.0 117.662 172.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.67 -45.42 89.45 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 169.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.05 -43.94 87.14 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 165.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.54 67.24 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 168.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -47.61 85.01 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 121.07 1.759 . . . . 0.0 115.411 165.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.73 -46.11 84.88 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 170.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.4 -49.57 76.33 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.33 -53.29 17.96 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 167.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.51 -48.86 80.02 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.85 -45.36 82.47 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.06 -48.56 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-N 120.189 1.359 . . . . 0.0 112.837 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.48 76.38 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -49.87 -46.35 51.43 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 163.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.79 -54.0 51.34 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.54 -34.27 72.07 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 161.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -55.57 -43.79 76.25 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 165.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.5 -5.8 26.43 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.42 -1.81 56.01 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 119.78 2.672 . . . . 0.0 119.78 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -81.56 154.04 26.43 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 119.963 1.882 . . . . 0.0 113.366 -172.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.85 -67.27 1.0 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -161.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.6 83.43 7.89 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.751 1.16 . . . . 0.0 110.382 -166.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.0 mt -86.92 98.76 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -166.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -86.43 100.51 12.4 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.737 0.815 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.02 106.43 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -126.01 80.74 1.93 Allowed 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.24 110.71 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 109.743 -171.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -88.14 78.28 8.15 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.58 0.705 . . . . 0.0 111.047 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.44 -96.98 0.84 Allowed Glycine 0 N--CA 1.492 2.414 0 O-C-N 121.504 -0.747 . . . . 0.0 113.841 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.9 p -99.01 -7.49 26.78 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 163.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.04 100.26 6.43 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.919 1.691 . . . . 0.0 112.624 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -84.18 93.04 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -100.91 102.28 13.28 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.31 0.576 . . . . 0.0 110.06 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -106.73 103.96 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -170.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.71 119.59 39.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.533 0.733 . . . . 0.0 110.523 -176.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.5 m -128.67 139.63 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.881 -0.512 . . . . 0.0 111.928 -164.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -103.59 154.68 19.23 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.171 -0.956 . . . . 0.0 112.897 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 122.483 1.135 . . . . 0.0 110.068 173.638 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.416 55.9 tptt . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.81 99.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -101.73 154.18 19.13 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.814 1.293 . . . . 0.0 111.782 163.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.1 pt -126.67 88.7 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.456 -171.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 m -92.75 94.08 8.79 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mm -118.37 112.34 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.055 -1.028 . . . . 0.0 108.383 -162.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -106.4 119.06 38.27 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.148 1.34 . . . . 0.0 111.099 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.61 100.17 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -98.47 123.85 42.85 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.774 0.797 . . . . 0.0 111.64 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -122.47 64.35 0.95 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 122.87 0.468 . . . . 0.0 110.876 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.47 83.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.08 -52.3 4.6 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 -168.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.02 94.16 1.85 Allowed 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.753 0.821 . . . . 0.0 112.117 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.283 22.1 pt-20 -110.88 123.38 50.01 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.261 1.029 . . . . 0.0 113.41 176.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.73 122.51 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.29 152.6 47.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -162.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 pt -122.69 148.29 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.566 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -147.75 102.75 3.45 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 pt -158.47 112.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 121.218 -0.926 . . . . 0.0 110.678 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.266 38.8 ptt180 -77.14 129.3 35.81 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.17 91.44 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.773 0.829 . . . . 0.0 110.75 -162.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.1 p -72.65 91.82 1.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.705 -1.247 . . . . 0.0 112.765 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -144.7 147.63 33.24 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.817 -154.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -88.75 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 O-C-N 121.846 -0.533 . . . . 0.0 112.285 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -93.77 52.01 1.63 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.77 -53.43 0.93 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.539 1.136 . . . . 0.0 110.505 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.68 -32.86 31.48 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 155.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -40.96 -50.05 3.27 Favored 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 156.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -43.35 68.16 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.15 96.92 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.76 -36.07 75.89 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 166.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -62.12 -38.21 88.04 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 165.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.52 -38.4 77.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 163.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.1 mt -56.23 -46.24 79.61 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 122.291 2.314 . . . . 0.0 114.77 165.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 24.0 tt0 -47.32 -56.61 6.5 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 164.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.53 -43.61 89.46 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.43 59.53 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 168.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -52.97 -48.19 67.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 165.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.64 -51.89 20.84 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -51.7 -44.8 63.29 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.87 -26.88 21.39 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.38 1.35 Allowed Glycine 0 N--CA 1.489 2.191 0 CA-C-N 119.796 1.18 . . . . 0.0 115.353 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.24 114.2 21.65 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.19 -52.17 17.8 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 172.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -142.81 127.99 18.66 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 119.674 1.124 . . . . 0.0 110.971 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.3 t -130.51 129.62 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -165.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.24 102.1 11.81 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -95.01 107.72 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -116.81 108.07 15.4 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 118.866 0.757 . . . . 0.0 110.268 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.9 mm -101.7 110.73 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -79.94 93.34 5.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.697 -0.627 . . . . 0.0 111.04 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.56 160.17 14.54 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -168.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.17 -42.41 59.93 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -141.52 160.82 39.35 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.976 0.91 . . . . 0.0 111.119 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.74 -47.5 76.83 Favored 'General case' 0 CA--C 1.577 2.004 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.57 -46.24 84.21 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.79 -49.1 77.75 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 166.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.55 80.67 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' A' ' 60' ' ' GLU . 1.6 tmpt? -53.33 -53.88 44.58 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 167.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' CD ' ' HZ2' ' A' ' 59' ' ' LYS . 58.4 mm-40 -65.15 -42.6 93.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.24 -49.63 73.61 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 165.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 tt -48.81 -58.85 4.16 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.06 -46.74 82.22 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 172.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.39 -47.57 66.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 168.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 mt -61.79 -48.83 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 119.642 1.11 . . . . 0.0 112.896 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.4 71.54 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -55.01 -47.95 73.99 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 164.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.46 -50.49 73.37 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.0 mt -69.76 -33.68 72.75 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -59.39 -41.88 90.41 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 158.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' A' ' 35' ' ' GLU . 79.2 tttt -55.7 -46.98 77.57 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.18 -46.57 80.26 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 50.88 0.24 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -107.99 100.09 9.47 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.39 -32.71 58.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -96.56 107.1 19.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.948 1.249 . . . . 0.0 109.127 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.05 108.28 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -166.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -86.05 102.94 14.27 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 121.061 -1.024 . . . . 0.0 110.161 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.15 105.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 123.818 0.847 . . . . 0.0 109.211 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -131.1 108.44 9.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.231 -0.918 . . . . 0.0 110.1 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.99 113.83 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 120.966 -1.084 . . . . 0.0 109.95 157.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -95.91 84.77 3.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.077 -1.014 . . . . 0.0 109.479 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.49 -95.5 0.88 Allowed Glycine 0 N--CA 1.49 2.285 0 O-C-N 121.756 -0.59 . . . . 0.0 112.712 -167.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.8 p -114.89 0.51 13.77 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 164.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.11 104.78 7.8 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 121.316 1.871 . . . . 0.0 109.947 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.64 90.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.748 -1.22 . . . . 0.0 108.858 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.17 96.99 7.57 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.348 0.659 . . . . 0.0 110.27 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mm -107.44 112.74 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -115.1 110.12 19.06 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.629 0.771 . . . . 0.0 109.934 -171.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.69 150.85 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 133.66 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 172.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 175.635 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.5 102.88 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -110.49 114.85 28.59 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 170.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mp -105.92 106.25 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 119.289 0.95 . . . . 0.0 108.922 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -97.82 113.74 25.61 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.349 1.06 . . . . 0.0 109.463 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mm -116.91 100.0 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -99.47 95.74 7.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.764 -0.585 . . . . 0.0 111.185 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.74 99.07 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -103.76 87.54 2.84 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.896 0.878 . . . . 0.0 109.111 -170.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -88.22 75.63 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -171.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.6 OUTLIER 57.9 65.02 1.39 Allowed 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.28 34.74 50.4 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 118.731 2.252 . . . . 0.0 118.731 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -154.24 106.74 2.81 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.461 1.63 . . . . 0.0 110.084 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.81 107.33 19.13 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.439 1.096 . . . . 0.0 113.475 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -92.94 96.51 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -102.11 109.15 20.79 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -100.18 89.83 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.76 102.99 12.17 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.763 0.825 . . . . 0.0 109.565 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 pt -131.23 144.64 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 122.109 0.957 . . . . 0.0 112.76 -163.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.69 111.76 22.35 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.077 0.951 . . . . 0.0 109.464 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.68 83.43 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.381 -0.824 . . . . 0.0 110.663 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 t -83.98 72.87 10.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.467 -1.396 . . . . 0.0 114.249 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -166.1 120.82 1.18 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -165.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 33.88 0.98 Allowed Glycine 0 N--CA 1.497 2.734 0 N-CA-C 121.394 3.318 . . . . 0.0 121.394 -169.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -142.0 -37.59 0.4 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.441 1.097 . . . . 0.0 112.775 164.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.94 -30.51 70.66 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -56.71 -42.44 79.14 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 160.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.09 -49.12 75.71 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -54.52 -47.18 73.42 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 170.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.4 -51.41 69.5 Favored 'General case' 0 CA--C 1.566 1.575 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 164.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tt -49.83 -43.54 48.89 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.33 -31.29 72.41 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -81.72 -40.64 22.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.52 -42.12 67.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.264 1.1 pt-20 -54.69 -41.88 70.75 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 164.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -63.21 -45.07 93.37 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 170.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.11 95.54 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 166.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.5 -53.45 56.23 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 165.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.3 77.49 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.74 72.45 5.26 Favored 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.472 1.487 . . . . 0.0 112.506 173.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 51.76 54.86 10.22 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.7 73.34 2.68 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 116.316 1.287 . . . . 0.0 116.316 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.59 157.06 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 119.744 3.238 . . . . 0.0 119.744 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -81.71 -11.6 58.98 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 158.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -136.23 125.13 24.12 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.67 1.577 . . . . 0.0 108.714 168.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -128.25 115.0 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -94.62 102.57 14.48 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.016 0.526 . . . . 0.0 110.746 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.55 105.22 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -116.74 107.15 14.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.489 -0.757 . . . . 0.0 109.431 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 17.1 tt -110.97 118.41 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 110.533 177.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -84.86 114.76 22.34 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 111.463 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.14 163.52 24.04 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -51.53 11.3 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 163.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -105.4 156.31 18.3 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.535 1.16 . . . . 0.0 112.879 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -55.34 -50.57 69.28 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.417 2.376 . . . . 0.0 117.417 172.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.9 -27.28 65.64 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.3 -37.52 85.87 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.01 1.732 . . . . 0.0 115.162 159.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.1 82.37 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 162.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -58.56 -49.42 77.48 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 163.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -54.63 -44.71 73.4 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 170.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.25 -35.29 79.83 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.56 -54.21 44.21 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.613 1.552 . . . . 0.0 115.022 159.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -53.06 -47.35 68.53 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.38 -53.64 54.05 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.75 -47.36 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-N 119.838 1.199 . . . . 0.0 113.352 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.21 -46.05 65.49 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.52 -46.84 76.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.58 -52.84 63.96 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.29 -41.49 97.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -57.63 -50.08 74.35 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 163.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.41 -43.64 79.54 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.6 -33.45 75.96 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -97.48 109.96 22.61 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.941 1.371 . . . . 0.0 109.807 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -85.05 -43.69 13.69 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -164.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -81.48 118.04 22.4 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 119.798 1.181 . . . . 0.0 109.715 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.1 mt -128.81 104.59 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -171.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -97.86 103.27 15.19 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.226 1.01 . . . . 0.0 110.93 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.0 t -97.63 123.16 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 123.391 0.676 . . . . 0.0 110.971 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -130.84 98.02 4.5 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.09 163.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.35 104.11 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -90.52 60.13 4.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.167 -0.958 . . . . 0.0 112.698 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.22 -76.98 0.59 Allowed Glycine 0 N--CA 1.493 2.468 0 O-C-N 121.008 -1.058 . . . . 0.0 114.948 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 p -95.23 -40.37 9.6 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.43 107.14 13.95 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.497 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -88.83 85.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -91.27 94.73 9.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.507 0.723 . . . . 0.0 109.627 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 69.9 mt -108.99 105.5 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -99.52 120.52 39.78 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.749 0.82 . . . . 0.0 110.437 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.0 m -106.78 134.81 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.629 -0.67 . . . . 0.0 112.607 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.92 150.41 38.54 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 121.733 0.778 . . . . 0.0 112.199 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 173.096 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.0 mttm . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -57.46 96.07 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.702 1.201 . . . . 0.0 114.047 -164.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.22 115.54 30.36 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mm -85.5 103.37 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.1 m -102.4 100.45 10.59 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.75 95.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -87.45 98.74 11.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.679 -0.638 . . . . 0.0 109.321 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.5 92.0 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.14 111.97 21.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.971 0.891 . . . . 0.0 110.833 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -88.55 -178.37 5.82 Favored 'General case' 0 CA--C 1.576 1.963 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.56 150.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.78 97.82 1.85 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 119.623 -1.923 . . . . 0.0 113.143 -166.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.81 41.65 97.43 Favored Glycine 0 CA--C 1.553 2.441 0 N-CA-C 117.847 1.899 . . . . 0.0 117.847 -162.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.8 94.97 1.6 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 118.822 1.311 . . . . 0.0 111.265 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -100.05 101.35 12.4 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.552 0.741 . . . . 0.0 111.257 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.14 103.33 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -109.93 127.65 54.88 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -169.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -129.9 124.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.77 120.36 41.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 123.399 0.68 . . . . 0.0 111.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mm -124.68 110.97 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.469 -0.769 . . . . 0.0 109.755 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -85.24 117.12 23.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.907 -1.12 . . . . 0.0 112.53 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.35 68.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-O 121.618 0.723 . . . . 0.0 112.175 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 t -109.85 85.54 2.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.696 -1.252 . . . . 0.0 109.997 169.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.348 1.8 t -152.37 -97.17 0.05 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.462 -166.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.56 -117.88 0.89 Allowed Glycine 0 N--CA 1.491 2.361 0 CA-C-N 121.606 2.003 . . . . 0.0 114.376 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -81.0 70.86 7.92 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 122.265 1.031 . . . . 0.0 111.573 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -149.65 -54.71 0.17 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 124.383 1.073 . . . . 0.0 110.388 -159.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -52.95 -32.91 48.5 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 164.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.05 -50.58 70.56 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 164.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -62.77 -43.36 99.02 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 171.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.32 -52.09 66.76 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 166.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.07 -44.23 67.35 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -58.88 -52.24 66.59 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -62.96 -36.03 82.11 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.34 -41.27 80.96 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 171.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.79 -55.75 10.63 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 120.133 1.333 . . . . 0.0 114.536 161.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -53.39 -37.79 62.79 Favored 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 167.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.53 88.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.16 -43.84 82.92 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 167.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.45 96.39 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 167.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -60.84 -42.23 97.37 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 166.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.56 66.56 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.0 75.56 0.85 Allowed Glycine 0 N--CA 1.492 2.406 0 CA-C-N 119.83 1.196 . . . . 0.0 114.319 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.43 137.56 32.6 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -167.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.16 -48.92 7.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -130.81 121.17 24.86 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 119.095 0.861 . . . . 0.0 109.429 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.27 106.05 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -91.55 90.24 7.53 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.346 0.594 . . . . 0.0 109.428 168.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -89.66 120.86 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 m -112.43 110.55 20.81 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 tt -97.72 105.71 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -81.19 85.44 6.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.0 111.72 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 149.88 26.33 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -88.95 -22.81 22.87 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 -174.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -136.54 159.98 40.17 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 120.035 1.289 . . . . 0.0 110.932 173.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -56.84 -48.98 76.81 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' CD ' ' HZ2' ' A' ' 59' ' ' LYS . 62.6 mm-40 -60.88 -47.51 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -59.45 -42.82 92.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.14 71.07 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 164.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HZ2' ' CD ' ' A' ' 56' ' ' GLU . 8.2 mtpm? -57.43 -47.44 81.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 168.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.12 -49.87 75.47 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.35 -39.84 94.68 Favored 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -46.82 -56.42 6.3 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 160.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.52 -46.8 88.83 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.46 -50.44 69.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 171.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.91 -49.76 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-N 119.463 1.029 . . . . 0.0 112.87 171.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.63 83.17 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -64.22 -43.54 94.66 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 120.97 1.714 . . . . 0.0 114.927 164.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.44 -53.41 51.77 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 171.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -29.73 61.73 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -62.0 -47.6 84.05 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.485 1.493 . . . . 0.0 114.502 161.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -52.16 -46.53 65.52 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 166.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.3 5.97 15.63 Favored 'General case' 0 CA--C 1.578 2.046 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.36 42.76 11.3 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -119.2 96.32 5.17 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.2 1.0 . . . . 0.0 108.562 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -83.73 -40.82 18.37 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 -163.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -84.73 89.1 7.43 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 120.59 1.541 . . . . 0.0 110.609 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -99.03 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -166.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -111.11 101.11 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.488 0.661 . . . . 0.0 109.933 -170.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.62 131.66 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -126.5 118.57 25.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.537 -0.727 . . . . 0.0 109.29 160.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.2 t -91.26 115.58 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -86.55 75.47 9.72 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.191 -0.943 . . . . 0.0 111.126 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.2 -84.17 0.61 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.369 -0.832 . . . . 0.0 114.239 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.5 p -105.72 -23.41 12.74 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 167.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -82.05 115.29 21.12 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 120.415 1.461 . . . . 0.0 111.33 -167.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -91.79 105.38 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 121.109 -0.994 . . . . 0.0 109.11 -169.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -93.28 93.07 8.01 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.065 0.546 . . . . 0.0 110.645 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.4 mt -91.42 113.8 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.846 0.831 . . . . 0.0 108.771 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -103.38 104.07 14.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.99 0.916 . . . . 0.0 110.018 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.5 m -103.11 114.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.398 0.618 . . . . 0.0 110.969 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -106.47 132.59 52.31 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.453 0.701 . . . . 0.0 111.059 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.42 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -133.06 95.7 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.03 112.16 19.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.515 -0.741 . . . . 0.0 110.299 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.0 mt -96.93 84.44 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -100.16 106.27 17.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.94 0.876 . . . . 0.0 108.93 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 mm -116.04 100.11 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -167.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -98.3 103.65 15.62 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 122.236 1.017 . . . . 0.0 110.211 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -87.51 94.86 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.31 98.55 5.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.492 1.139 . . . . 0.0 109.698 168.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.73 72.89 1.14 Allowed 'General case' 0 CA--C 1.567 1.628 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.468 -168.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.279 5.9 m-20 52.7 61.9 2.96 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.71 31.83 14.62 Favored Glycine 0 CA--C 1.553 2.435 0 N-CA-C 118.761 2.264 . . . . 0.0 118.761 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -162.39 106.85 1.17 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.686 1.743 . . . . 0.0 110.484 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.256 1.9 pm0 -84.02 118.88 24.34 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 119.596 1.089 . . . . 0.0 113.211 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.66 101.75 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -78.67 121.87 25.24 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.295 1.045 . . . . 0.0 113.581 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -112.65 100.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -103.3 77.89 1.56 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 122.919 1.342 . . . . 0.0 112.945 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 pt -99.22 81.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-O 122.159 0.981 . . . . 0.0 110.653 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 127.39 33.02 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -120.43 157.02 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 121.898 0.856 . . . . 0.0 112.841 -162.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -89.27 18.39 5.18 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 164.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.433 42.0 p 75.41 -121.4 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 125.382 1.473 . . . . 0.0 112.088 -174.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 35.82 60.26 0.83 Allowed Glycine 0 N--CA 1.502 3.08 0 N-CA-C 121.802 3.481 . . . . 0.0 121.802 173.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.324 57.5 mttm 64.62 -9.43 0.18 Allowed 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.291 3.071 . . . . 0.0 119.291 -168.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.36 -44.61 94.31 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.903 1.683 . . . . 0.0 114.26 165.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.41 -41.62 72.98 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.02 -53.84 53.48 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -52.95 -52.04 59.33 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.13 32.74 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 175.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 tp -53.6 -44.75 69.69 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.09 -49.2 73.21 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -72.63 -36.42 68.02 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.37 -43.5 88.45 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 167.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -49.87 -50.69 44.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -60.56 -52.0 67.03 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.92 99.12 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.51 -48.72 78.5 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 170.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.98 85.54 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 170.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -69.45 -42.97 74.23 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.12 -31.3 70.8 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.83 72.7 1.05 Allowed Glycine 0 N--CA 1.488 2.159 0 CA-C-N 119.729 1.15 . . . . 0.0 114.427 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.43 120.56 35.89 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -58.07 3.5 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.02 114.8 29.22 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.27 96.43 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.51 90.17 8.14 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 123.381 0.673 . . . . 0.0 110.486 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.3 mt -91.71 105.79 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -112.89 107.63 16.28 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.0 105.27 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -92.28 101.69 14.18 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.728 0.775 . . . . 0.0 111.646 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.17 160.88 13.95 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -170.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -61.86 -50.88 70.49 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -130.5 161.63 31.03 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 123.152 1.453 . . . . 0.0 110.66 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -58.13 -38.78 77.19 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 170.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -54.66 -50.07 69.08 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 166.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -55.86 -52.07 65.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 165.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.72 -41.08 66.65 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.543 2.424 . . . . 0.0 117.543 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.29 -55.64 32.25 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.37 -41.6 89.69 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.53 -48.76 79.58 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.9 tp -44.7 -53.22 7.52 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 162.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.21 -46.41 89.04 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -56.19 -48.87 75.52 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -61.65 -52.31 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 CA-C-N 119.538 1.063 . . . . 0.0 112.891 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.23 -46.17 69.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 171.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.2 -45.44 87.58 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 166.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -56.61 -52.05 66.35 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 169.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.81 -33.77 62.27 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -56.29 -45.81 80.05 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 157.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.42 -46.77 88.73 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.06 -45.37 95.05 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.99 56.73 0.25 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 115.828 1.091 . . . . 0.0 115.828 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -112.38 148.26 34.67 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.566 0.698 . . . . 0.0 111.357 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.02 -46.33 2.53 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.32 84.43 7.63 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 120.584 1.538 . . . . 0.0 110.065 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.8 mt -100.73 105.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -167.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.54 91.64 3.73 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.704 0.764 . . . . 0.0 109.645 -170.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.97 123.87 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.626 0 C-N-CA 123.714 0.806 . . . . 0.0 112.16 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -140.0 91.27 2.45 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.66 120.69 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 112.021 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.34 70.75 5.19 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.304 -0.873 . . . . 0.0 110.635 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.47 -81.75 0.6 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.794 -1.192 . . . . 0.0 114.401 -168.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.8 p -112.72 -2.99 14.33 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.15 97.08 10.13 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.41 1.459 . . . . 0.0 110.502 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.3 84.87 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.57 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -81.83 104.63 12.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.868 -0.52 . . . . 0.0 110.131 170.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.99 103.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 165.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -93.82 109.78 21.45 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 122.772 0.429 . . . . 0.0 110.116 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.8 m -104.94 131.09 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.485 0.66 . . . . 0.0 111.272 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -111.19 140.16 45.98 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 122.848 1.308 . . . . 0.0 108.975 174.041 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.29 86.0 mttt . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 t -130.76 70.3 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.688 1.131 . . . . 0.0 108.482 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 99.49 10.12 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.6 pt -94.49 102.05 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 124.053 0.941 . . . . 0.0 109.777 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -85.08 98.83 10.66 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.807 0.843 . . . . 0.0 109.301 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -109.74 97.52 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HZ2' ' CD ' ' A' ' 16' ' ' GLU . 38.9 mttt -107.54 110.97 23.02 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.697 0.761 . . . . 0.0 109.349 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.22 102.67 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -168.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -80.98 105.27 12.08 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.579 -0.7 . . . . 0.0 112.448 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -93.64 71.35 4.24 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.8 OUTLIER 50.22 88.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.618 1.567 . . . . 0.0 114.798 -168.462 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 -44.96 3.14 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 -167.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -81.44 92.65 6.49 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.052 0.941 . . . . 0.0 112.634 -169.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -68.9 94.34 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 123.423 0.689 . . . . 0.0 111.514 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 mm -88.08 105.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 12.5 pt-20 -101.23 112.45 24.94 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -164.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.31 89.24 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.621 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 97.59 7.41 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.347 0.659 . . . . 0.0 109.415 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 pt -138.66 148.84 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.7 0.762 . . . . 0.0 112.413 -163.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.12 103.13 15.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 0.0 110.845 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.13 54.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 CA-C-O 121.536 0.684 . . . . 0.0 112.442 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.0 p -90.53 76.55 6.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.377 -1.452 . . . . 0.0 112.039 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.1 114.78 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -166.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.65 139.98 39.99 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 116.396 1.318 . . . . 0.0 116.396 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.327 0.0 OUTLIER 70.94 -53.17 0.68 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -170.248 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -48.82 -42.72 37.03 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.269 1.4 pt? -56.27 -34.59 66.58 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 172.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -63.94 -44.52 92.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -55.41 -45.01 76.71 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.09 79.07 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 165.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.8 tp -49.63 -45.02 47.84 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.83 -48.59 79.86 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 172.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.06 -41.68 98.39 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 167.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.6 mt -62.1 -45.08 95.09 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -49.36 70.87 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 166.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -59.72 -43.27 94.23 Favored 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 169.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.65 71.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.29 -36.92 76.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 161.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -42.33 69.81 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 163.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -73.13 65.82 0.82 Allowed 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 120.929 1.695 . . . . 0.0 112.98 167.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.76 -63.65 0.09 Allowed 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.32 76.62 0.65 Allowed Glycine 0 N--CA 1.492 2.423 0 CA-C-N 119.247 0.93 . . . . 0.0 113.601 -164.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.29 143.05 45.85 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -165.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -102.79 -56.08 2.31 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.41 171.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.53 113.69 27.03 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 120.574 1.534 . . . . 0.0 110.167 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.26 98.94 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.01 109.94 18.86 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.394 0.616 . . . . 0.0 112.512 -171.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -106.43 109.61 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -106.84 110.37 22.52 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 118.304 0.502 . . . . 0.0 110.176 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.0 112.92 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.574 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -91.89 120.68 32.8 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.114 0.565 . . . . 0.0 112.013 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.63 171.84 7.91 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.91 -46.36 36.41 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.569 -1.332 . . . . 0.0 114.235 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -125.33 173.08 9.08 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 124.663 1.185 . . . . 0.0 110.079 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.03 -47.65 84.45 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 170.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.72 -39.7 85.53 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -54.66 -51.43 65.49 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 166.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.91 90.49 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 169.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -61.46 -41.61 97.49 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.9 -45.21 78.68 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 167.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.8 -34.94 78.33 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.97 -51.36 30.9 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 160.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.74 -54.14 50.44 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 119.206 0.912 . . . . 0.0 113.339 168.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.37 -49.77 71.44 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 mt -66.16 -50.2 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 CA-C-N 119.869 1.213 . . . . 0.0 112.274 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.53 76.01 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -49.22 -43.83 42.9 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 164.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.36 -52.03 66.36 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 167.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.88 -38.32 79.59 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -38.12 88.37 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 164.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -57.32 -40.88 78.85 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.45 -52.91 63.19 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 120.15 1.341 . . . . 0.0 114.546 161.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.59 0.55 Allowed Glycine 0 N--CA 1.486 1.981 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.3 131.53 35.23 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.697 1.249 . . . . 0.0 111.281 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -90.67 -42.56 10.67 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.22 125.11 29.03 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 119.556 1.071 . . . . 0.0 110.216 166.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.0 mt -135.04 94.73 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.78 117.9 35.82 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.597 0.759 . . . . 0.0 110.405 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.46 112.3 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.277 -0.89 . . . . 0.0 108.771 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -111.93 114.29 27.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.64 -0.662 . . . . 0.0 109.72 171.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 t -100.36 104.51 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -90.9 78.21 6.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.236 -0.915 . . . . 0.0 110.668 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.83 -94.04 0.96 Allowed Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.481 -0.762 . . . . 0.0 113.937 -172.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . 0.262 8.9 t -125.75 49.6 1.93 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 122.738 1.256 . . . . 0.0 112.415 163.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.66 101.47 6.41 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.48 101.43 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -86.39 108.1 18.32 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 165.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.0 mt -98.33 103.15 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.698 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 165.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 105.75 16.75 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.091 1.356 . . . . 0.0 109.071 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.9 142.4 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.588 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -123.85 153.91 40.39 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.574 1.178 . . . . 0.0 110.287 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.495 1.795 0 O-C-N 120.898 -1.126 . . . . 0.0 110.33 -169.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tpmp? . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -77.19 90.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 164.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.09 114.09 15.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -166.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.256 45.2 pt -115.24 100.66 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 CA-C-O 121.622 0.725 . . . . 0.0 109.127 -162.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -104.72 93.63 4.85 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.26 99.56 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.306 13.6 ptmm? -105.77 114.05 27.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 122.815 1.293 . . . . 0.0 111.472 -171.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -107.0 104.48 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -158.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -102.12 134.02 46.04 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-O 122.568 1.175 . . . . 0.0 111.821 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -104.32 49.86 0.81 Allowed 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.67 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.296 16.2 m-20 42.55 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -163.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.91 -74.09 0.34 Allowed Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.935 -0.478 . . . . 0.0 113.404 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.84 122.5 26.16 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 117.442 0.621 . . . . 0.0 111.82 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -125.33 107.95 11.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.83 0.852 . . . . 0.0 110.358 -159.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.49 103.65 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.223 -0.923 . . . . 0.0 109.078 -166.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.42 114.23 21.75 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -106.79 101.37 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.14 95.51 5.83 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 121.565 0.698 . . . . 0.0 112.236 -164.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -121.56 148.33 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 C-N-CA 124.385 1.074 . . . . 0.0 109.811 -166.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 139.96 48.57 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 119.5 -2.0 . . . . 0.0 111.039 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.88 76.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-O 121.687 0.756 . . . . 0.0 110.278 -166.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -82.64 41.41 0.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -176.78 152.09 0.94 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.904 -1.123 . . . . 0.0 111.232 -152.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 138.27 35.56 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.092 1.197 . . . . 0.0 116.092 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.476 57.4 mttm 72.59 -20.35 0.27 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 119.93 3.307 . . . . 0.0 119.93 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' CD ' HH22 ' A' ' 29' ' ' ARG . 75.1 mm-40 -63.55 -48.12 78.8 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.109 1.777 . . . . 0.0 113.495 154.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.28 -46.08 69.16 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 168.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -54.63 44.28 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.4 HH22 ' CD ' ' A' ' 26' ' ' GLU . 17.1 mtm105 -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.67 72.59 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -53.87 -46.75 71.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.22 -50.82 72.2 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.42 -36.08 73.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.14 -43.09 95.98 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 121.229 1.832 . . . . 0.0 115.174 168.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 31.5 tt0 -50.42 -53.37 29.99 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 162.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -49.81 74.75 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 170.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.99 99.57 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.8 -46.91 87.48 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.57 78.5 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 167.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.71 -47.32 86.8 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 168.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.01 -43.35 62.22 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.53 72.05 1.06 Allowed Glycine 0 N--CA 1.49 2.265 0 CA-C-N 120.123 1.329 . . . . 0.0 115.337 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.34 143.67 33.19 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -96.27 -19.42 19.29 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -169.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -136.78 109.1 7.3 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.833 2.106 . . . . 0.0 110.021 161.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -111.85 111.55 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.385 -0.822 . . . . 0.0 108.945 -165.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -101.18 98.36 8.78 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.311 0.645 . . . . 0.0 110.589 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -89.94 110.29 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -98.06 126.85 43.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.45 111.28 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 170.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 t -73.53 123.69 24.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.945 162.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.13 25.37 Favored 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.98 -20.05 56.55 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 172.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -140.44 167.89 21.08 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 119.979 1.263 . . . . 0.0 110.572 165.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -63.3 -40.59 97.76 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 168.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.14 -40.92 82.53 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 164.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -56.84 -47.2 80.88 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 162.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -39.29 65.04 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -57.68 -54.1 50.72 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 166.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.99 -41.54 90.94 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.54 -40.46 94.74 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.67 -50.23 55.25 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 162.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.14 -43.28 99.17 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 mt -55.21 -37.76 67.55 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.786 2.084 . . . . 0.0 116.088 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.86 -58.97 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 CA-C-N 119.928 1.24 . . . . 0.0 111.614 165.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.15 71.04 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 169.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.97 -52.46 60.6 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 121.572 1.987 . . . . 0.0 114.985 160.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.94 -44.79 94.14 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -62.05 -42.92 99.69 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 165.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -57.77 -48.2 80.35 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 169.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.96 -37.51 85.0 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.55 43.95 3.82 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -76.12 143.16 41.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.388 1.094 . . . . 0.0 111.914 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -56.37 3.08 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.18 85.62 3.25 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 121.347 0.594 . . . . 0.0 109.702 -163.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.02 111.18 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -164.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -112.21 119.55 38.73 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 123.917 0.887 . . . . 0.0 110.484 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.08 132.31 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -134.83 89.98 2.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.13 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.58 99.8 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.2 73.48 2.19 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 121.549 0.69 . . . . 0.0 109.72 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.27 -99.35 0.63 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.6 p -92.82 -19.96 21.2 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.68 105.22 6.6 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 120.032 1.287 . . . . 0.0 110.952 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.69 97.56 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -114.49 105.23 12.85 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.044 0.538 . . . . 0.0 110.234 -171.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -112.51 112.14 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -91.8 123.9 35.53 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.22 0.608 . . . . 0.0 110.127 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.21 124.2 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.606 -0.684 . . . . 0.0 112.208 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -95.26 147.48 23.43 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.36 1.076 . . . . 0.0 113.076 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.625 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.5 t -122.78 73.87 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.26 98.84 10.05 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.525 0.679 . . . . 0.0 110.214 -166.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -83.19 103.75 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -101.09 103.79 14.89 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.92 127.91 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 14.3 ptpt -125.81 131.53 52.43 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.286 1.041 . . . . 0.0 113.706 160.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.0 mt -110.62 89.55 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -163.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.283 0.1 OUTLIER -87.74 121.1 29.75 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.522 1.056 . . . . 0.0 110.958 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -120.01 -134.63 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.237 1.015 . . . . 0.0 110.782 -169.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.77 90.62 1.87 Allowed 'General case' 0 CA--C 1.572 1.802 0 O-C-N 120.959 -1.088 . . . . 0.0 111.071 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.87 27.09 63.88 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 120.515 2.966 . . . . 0.0 120.515 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -163.5 132.99 4.09 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 119.299 1.55 . . . . 0.0 110.065 -161.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.05 132.34 54.45 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.75 112.67 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.24 128.73 53.57 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.8 mm -136.83 112.82 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.428 ' CG ' HH22 ' A' ' 20' ' ' ARG . 0.8 OUTLIER -105.85 126.33 52.05 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.356 0.98 . . . . 0.0 111.068 164.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.91 116.44 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.341 -0.849 . . . . 0.0 109.657 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.428 HH22 ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -96.43 103.56 15.47 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.341 0.656 . . . . 0.0 112.444 -176.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.2 m -116.43 78.56 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.558 0.694 . . . . 0.0 110.058 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -71.06 86.76 0.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -153.13 141.41 20.57 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.178 -154.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.28 -61.82 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.61 3.77 10.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.261 24.4 mm-40 -84.61 -17.75 37.71 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.541 1.973 . . . . 0.0 116.128 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.92 -30.09 32.31 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 158.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.06 -49.16 3.38 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 164.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -49.46 64.48 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.91 81.14 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 167.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.78 -42.33 79.23 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -68.07 -38.65 82.65 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 167.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -58.43 -43.59 88.78 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 120.741 1.61 . . . . 0.0 115.296 165.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.04 -42.33 98.28 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 165.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 0.9 OUTLIER -57.14 -54.03 51.41 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 168.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -43.35 -53.11 5.5 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 163.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.59 81.05 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.37 -50.88 72.06 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.05 -42.82 86.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -68.54 -34.52 75.99 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 169.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.53 -51.95 20.81 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.69 76.51 0.73 Allowed Glycine 0 N--CA 1.493 2.47 0 CA-C-N 119.831 1.196 . . . . 0.0 115.424 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.3 155.34 24.23 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -167.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtp-105 -75.83 -72.49 0.31 Allowed 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -118.83 98.41 6.19 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.43 111.07 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 -169.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -83.3 98.35 9.38 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.758 0.423 . . . . 0.0 110.252 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.1 mt -91.76 110.61 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 167.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.5 m -116.24 144.52 44.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.69 0.796 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.13 118.06 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.351 -0.843 . . . . 0.0 108.92 162.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.3 t -81.57 94.77 6.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.936 -0.477 . . . . 0.0 110.759 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.43 165.24 15.05 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.52 -44.36 74.8 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -133.21 160.76 36.31 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.123 0.963 . . . . 0.0 111.536 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -58.83 -43.48 90.68 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 169.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.36 -41.42 93.64 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.14 -49.72 75.04 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -29.83 40.85 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 168.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -59.49 4.44 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.017 1.735 . . . . 0.0 113.705 171.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -68.71 -27.31 65.83 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 171.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.57 -39.03 91.19 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-N 121.613 2.006 . . . . 0.0 115.397 163.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.12 -58.21 6.04 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 162.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.71 -44.37 96.67 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 170.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.48 -45.96 66.35 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 122.463 2.392 . . . . 0.0 115.964 170.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.73 -53.86 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.077 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.736 168.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.11 -45.72 68.39 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-N 122.129 2.24 . . . . 0.0 117.045 174.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -51.44 -46.62 63.05 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 166.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.64 -55.0 40.49 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.4 mt -56.84 -41.16 77.38 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HZ2' ' CD ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -62.66 -40.5 97.24 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 168.424 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.62 -41.94 77.96 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 165.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.98 39.46 3.55 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 116.959 1.543 . . . . 0.0 116.959 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.17 146.19 23.85 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.744 0.783 . . . . 0.0 111.607 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.98 -51.12 3.1 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -86.92 93.46 9.33 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 120.263 1.392 . . . . 0.0 108.588 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -88.81 87.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -94.37 87.97 5.37 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 122.046 0.926 . . . . 0.0 110.74 -163.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.13 121.86 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 123.531 0.732 . . . . 0.0 111.467 -164.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -128.46 99.42 5.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 63.0 t -91.41 103.46 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.125 -0.984 . . . . 0.0 108.796 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -99.39 82.62 2.7 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.701 0.762 . . . . 0.0 109.959 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.32 -104.64 1.47 Allowed Glycine 0 N--CA 1.49 2.266 0 O-C-N 121.645 -0.659 . . . . 0.0 113.84 -171.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 p -104.18 -0.95 27.88 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.27 114.55 6.07 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.246 1.839 . . . . 0.0 111.267 162.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -93.84 75.08 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -91.12 96.99 10.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.857 -1.152 . . . . 0.0 111.192 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.8 mt -106.71 106.37 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -85.22 110.59 19.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 170.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.3 m -96.61 137.91 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.4 -0.813 . . . . 0.0 113.156 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -128.4 140.19 51.98 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.511 0.672 . . . . 0.0 110.598 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 120.946 -1.096 . . . . 0.0 109.237 -171.247 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.925 0 CA-C-O 121.797 0.808 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.4 t -70.99 95.86 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.706 -1.246 . . . . 0.0 110.529 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.29 84.47 6.86 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.55 0.69 . . . . 0.0 109.609 170.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.85 111.58 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.9 p -110.91 114.58 28.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -172.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.44 98.26 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -90.09 101.92 14.63 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 121.844 -0.535 . . . . 0.0 109.565 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.62 107.67 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -98.7 118.51 35.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.423 -0.798 . . . . 0.0 111.308 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 82.32 1.75 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 25.92 64.19 0.07 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.84 -54.16 0.73 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -163.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -80.25 101.3 8.8 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 118.275 1.038 . . . . 0.0 111.943 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 104.37 16.07 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.378 0.671 . . . . 0.0 110.775 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mm -101.06 99.38 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -174.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -89.9 116.28 27.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.069 0.548 . . . . 0.0 112.001 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.52 110.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.63 147.55 27.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.044 -1.035 . . . . 0.0 112.084 160.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 43.4 pt -126.13 97.8 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 148.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -79.6 95.8 5.98 Favored 'General case' 0 CA--C 1.569 1.7 0 CA-C-O 121.847 0.832 . . . . 0.0 112.829 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -116.96 128.46 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.529 -0.732 . . . . 0.0 110.487 -158.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -113.52 72.76 0.79 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.285 -0.885 . . . . 0.0 112.743 171.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.3 p -155.23 147.61 23.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.906 -0.496 . . . . 0.0 111.463 -165.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.66 -97.33 0.09 OUTLIER Glycine 0 N--CA 1.492 2.389 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -76.38 -10.63 59.55 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.2 -35.75 79.82 Favored 'General case' 0 CA--C 1.575 1.916 0 O-C-N 120.406 -1.434 . . . . 0.0 114.825 160.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.74 -43.79 98.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.84 -52.13 51.6 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 164.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -64.14 -41.56 97.14 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 173.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.66 97.36 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.14 -42.79 91.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 166.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.29 -44.34 75.6 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 165.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.82 -40.36 88.01 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 167.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.93 -43.18 81.21 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -55.28 20.97 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 164.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -50.09 62.48 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 168.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.01 87.9 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 172.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.08 92.72 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -65.15 -39.04 92.42 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.89 6.49 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 64.65 2.63 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.87 149.87 22.47 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.42 -55.63 16.97 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -113.16 126.53 55.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.72 114.85 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -112.47 94.39 4.9 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-O 122.126 0.965 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.16 127.22 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 123.881 0.873 . . . . 0.0 108.682 -167.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.4 m -127.18 117.76 22.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 119.452 1.024 . . . . 0.0 109.456 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.17 113.52 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.298 0.639 . . . . 0.0 110.297 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.2 t -76.28 95.34 3.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.567 166.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.6 151.53 23.37 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -70.98 -43.5 67.92 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -126.93 156.05 42.12 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.086 0.954 . . . . 0.0 111.214 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.58 -43.01 89.32 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.62 -40.0 93.27 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 167.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -60.82 -43.82 97.71 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 166.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.78 69.75 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 165.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.44 -54.88 34.91 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.56 -49.12 73.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.89 -39.26 91.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -52.98 -55.44 23.53 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 165.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.19 -44.39 95.12 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 170.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.6 tp -66.28 -46.61 76.41 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.4 -44.93 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-N 120.193 1.361 . . . . 0.0 112.013 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.48 74.39 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 169.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -55.63 -43.52 76.26 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 167.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.53 -52.9 63.01 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 167.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.03 -34.93 78.78 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.01 -47.95 81.5 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 159.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -45.71 84.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.68 -43.86 80.86 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 165.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.74 39.64 2.15 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -92.75 121.3 34.01 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.474 1.137 . . . . 0.0 110.458 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.55 -48.59 10.83 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.411 ' CG ' ' HE ' ' A' ' 91' ' ' ARG . 9.7 m-20 -89.99 107.66 19.25 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 119.827 1.194 . . . . 0.0 109.218 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mt -116.26 95.95 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -169.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.51 109.0 20.28 Favored 'General case' 0 CA--C 1.566 1.595 0 O-C-N 121.371 -0.831 . . . . 0.0 110.706 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.45 113.25 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.456 -0.778 . . . . 0.0 109.219 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -123.73 76.25 1.41 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.423 0.689 . . . . 0.0 110.712 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.35 126.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.531 -1.356 . . . . 0.0 110.762 -168.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -106.42 84.94 2.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.41 0.624 . . . . 0.0 110.137 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.39 -101.95 1.04 Allowed Glycine 0 N--CA 1.492 2.428 0 O-C-N 121.362 -0.836 . . . . 0.0 114.965 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -97.56 -6.83 32.64 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.33 95.72 4.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.652 1.569 . . . . 0.0 110.192 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.42 103.65 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -98.71 122.38 41.87 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.434 169.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.3 mt -108.31 110.72 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 163.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -102.28 95.38 6.26 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.901 1.28 . . . . 0.0 109.079 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -96.75 141.16 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.264 -0.898 . . . . 0.0 112.826 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HE ' ' CG ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -130.82 143.71 50.93 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.096 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 123.481 1.61 . . . . 0.0 108.433 172.38 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.413 ' HZ3' ' CD ' ' A' ' 53' ' ' GLU . 10.0 mmtm . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.184 0.516 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -75.97 116.17 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.2 -1.563 . . . . 0.0 110.906 -167.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.79 114.18 26.66 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.66 0.784 . . . . 0.0 110.444 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mm -98.03 103.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 164.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -106.14 105.1 14.97 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 119.635 1.107 . . . . 0.0 109.41 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.61 108.87 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -170.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -92.84 104.09 16.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.649 -0.657 . . . . 0.0 109.893 170.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.86 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -95.91 86.71 4.41 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.299 1.047 . . . . 0.0 109.96 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -73.44 -47.83 38.46 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -177.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.48 -132.54 0.21 Allowed 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 157.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 42.42 1.16 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 118.052 1.981 . . . . 0.0 118.052 173.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -146.95 102.67 3.55 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.95 119.58 33.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -101.41 107.82 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.48 121.63 27.01 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 122.106 0.955 . . . . 0.0 113.181 173.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -117.37 106.36 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.265 25.7 p-10 -106.41 93.21 4.48 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 122.731 1.253 . . . . 0.0 113.061 -176.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.6 mt -93.39 109.36 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 C-N-CA 124.219 1.008 . . . . 0.0 108.473 -170.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -106.45 127.36 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.808 -0.558 . . . . 0.0 110.701 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.354 60.4 t 88.11 100.0 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 124.766 1.227 . . . . 0.0 108.168 -162.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 m -157.05 88.49 1.03 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.27 7.5 t -106.63 -64.5 1.17 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -166.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.86 -87.28 0.33 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.784 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -59.66 -43.09 94.07 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.46 -32.53 74.0 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 167.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.88 -45.61 89.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 161.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.06 -45.78 82.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 167.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -53.41 -54.36 37.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 169.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -57.27 13.77 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.67 -42.8 89.3 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.13 -41.16 64.28 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -58.99 -44.28 91.6 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.163 1.801 . . . . 0.0 114.818 168.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.15 -51.76 68.01 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 167.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -42.39 98.62 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 173.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -58.29 -49.62 76.49 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.383 1.624 . . . . 0.0 115.383 167.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.97 97.59 Favored 'General case' 0 CA--C 1.569 1.677 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.45 65.61 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.619 1.099 . . . . 0.0 113.958 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.54 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -80.98 50.13 1.34 Allowed 'General case' 0 CA--C 1.58 2.127 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.41 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.65 1.18 . . . . 0.0 111.682 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.47 72.02 1.3 Allowed Glycine 0 N--CA 1.491 2.307 0 CA-C-N 119.265 0.939 . . . . 0.0 114.982 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.43 129.29 37.44 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -66.75 -48.44 69.12 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -131.85 131.52 42.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.64 1.109 . . . . 0.0 111.749 171.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.81 111.95 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -102.53 106.95 17.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.693 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -104.4 111.15 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.7 107.19 19.02 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 162.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -101.42 108.23 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.586 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 171.32 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -88.11 108.3 19.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 111.156 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.61 153.29 22.49 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' CD ' ' HZ3' ' A' ' 1' ' ' LYS . 50.2 mt-10 -74.58 -34.53 62.91 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 173.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -136.54 172.75 12.55 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.906 1.336 . . . . 0.0 113.518 171.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.51 -38.65 87.68 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.03 -40.36 90.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 170.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -51.77 -49.36 62.81 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 158.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.28 -29.28 60.94 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -60.97 -62.2 2.03 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 121.197 1.817 . . . . 0.0 113.621 166.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.85 -37.41 79.2 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.93 -34.57 76.86 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 171.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.12 -54.01 51.8 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 157.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.69 -57.69 11.64 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 116.899 -1.525 . . . . 0.0 114.147 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.6 mt -43.35 -37.52 2.31 Favored 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.1 mt -72.15 -59.45 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.887 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.946 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.7 74.24 Favored 'General case' 0 CA--C 1.58 2.133 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -51.5 -42.26 61.57 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 126.445 1.898 . . . . 0.0 115.882 162.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.8 tp -65.69 -50.7 63.95 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 165.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.76 -38.7 79.03 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.61 -42.22 96.39 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 164.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -63.73 -45.96 87.56 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.59 -47.05 87.91 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.42 51.38 0.58 Allowed Glycine 0 N--CA 1.488 2.156 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -121.67 108.55 13.68 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -66.72 -41.14 88.4 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -95.11 98.84 10.94 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -165.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -115.34 95.66 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -90.96 108.05 19.6 Favored 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 123.693 0.797 . . . . 0.0 110.617 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 62.6 t -104.57 120.47 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.23 0.612 . . . . 0.0 110.281 -167.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.86 111.2 18.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.466 -0.771 . . . . 0.0 109.291 161.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.06 101.45 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -97.45 78.59 2.69 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.685 0.755 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.19 -108.95 2.64 Favored Glycine 0 N--CA 1.492 2.42 0 O-C-N 121.492 -0.755 . . . . 0.0 113.612 -168.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.6 p -98.46 -5.55 32.18 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.76 104.72 4.06 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.176 1.353 . . . . 0.0 110.922 168.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.4 t -94.14 100.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.25 110.94 23.35 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 121.408 0.623 . . . . 0.0 110.508 -174.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.6 mm -111.87 107.27 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -171.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.7 115.89 29.72 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.695 1.236 . . . . 0.0 110.53 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.92 142.45 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.822 0.849 . . . . 0.0 110.906 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -132.02 157.13 44.91 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-O 122.019 0.914 . . . . 0.0 110.757 160.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.497 1.923 0 O-C-N 120.444 -1.41 . . . . 0.0 107.493 168.253 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.3 t -121.57 89.53 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 167.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.12 102.52 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 161.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.47 107.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.672 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 172.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -115.27 105.13 12.52 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -156.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.41 110.37 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.44 -158.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -95.27 102.12 13.9 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.191 0.519 . . . . 0.0 109.78 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.2 mt -93.2 100.64 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.62 114.14 27.01 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.9 0.857 . . . . 0.0 110.705 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.53 55.69 3.67 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 121.485 -0.76 . . . . 0.0 111.22 171.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.26 5.4 t70 56.58 83.71 0.1 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.102 1.361 . . . . 0.0 112.962 -165.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 -54.04 4.84 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.934 1.534 . . . . 0.0 116.934 -168.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -65.43 111.55 3.12 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -110.5 139.89 45.31 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -159.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.2 mt -133.01 117.5 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 162.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -85.19 128.51 34.7 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.3 0.572 . . . . 0.0 112.015 164.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.5 mt -122.16 117.44 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -91.33 103.31 15.98 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.78 91.73 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.601 -1.312 . . . . 0.0 108.764 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -103.04 111.73 24.22 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.456 1.102 . . . . 0.0 112.453 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.56 140.86 47.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.995 0 C-N-CA 123.845 0.858 . . . . 0.0 110.196 -162.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -135.9 105.61 6.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 109.671 167.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 t -154.96 -174.43 4.98 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.94 0.876 . . . . 0.0 112.751 -168.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.04 -93.61 0.6 Allowed Glycine 0 N--CA 1.49 2.253 0 O-C-N 121.252 -0.905 . . . . 0.0 112.657 159.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -82.98 -32.9 26.78 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.18 -8.95 1.23 Allowed 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 121.282 3.808 . . . . 0.0 121.282 -156.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.4 -51.72 18.99 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 151.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -29.92 -56.86 0.18 Allowed 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 164.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -73.79 -39.13 64.35 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.88 97.71 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 164.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.79 -37.55 79.41 Favored 'General case' 0 CA--C 1.576 1.962 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -64.01 -31.9 73.25 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 164.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -67.81 -37.62 82.21 Favored 'General case' 0 CA--C 1.576 1.977 0 O-C-N 120.035 -1.666 . . . . 0.0 114.727 160.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.46 -44.53 92.98 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -56.84 -48.73 77.36 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-N 120.9 1.682 . . . . 0.0 115.533 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -51.73 -54.7 25.56 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 164.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.69 85.66 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.74 -47.15 84.79 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.38 76.33 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 168.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -79.73 59.66 3.15 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-N 119.382 0.992 . . . . 0.0 113.288 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.08 -54.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.456 1.102 . . . . 0.0 112.643 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.23 57.09 1.4 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 116.224 1.25 . . . . 0.0 116.224 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.56 138.13 31.74 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 121.995 0.902 . . . . 0.0 112.894 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -89.38 -50.69 5.97 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.586 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -106.54 146.66 30.35 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 121.649 0.738 . . . . 0.0 109.949 163.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.59 104.48 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 168.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -96.62 74.92 2.78 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.628 1.204 . . . . 0.0 110.819 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.21 133.82 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 C-N-CA 124.079 0.952 . . . . 0.0 111.074 -167.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -129.55 122.54 29.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.906 -1.121 . . . . 0.0 110.786 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.81 112.61 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.792 -0.568 . . . . 0.0 109.809 175.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -75.8 101.22 5.01 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.546 -0.721 . . . . 0.0 110.998 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.79 147.38 26.55 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 122.208 1.004 . . . . 0.0 113.591 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.45 -43.27 60.66 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.74 169.88 17.02 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.022 0.929 . . . . 0.0 111.814 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -57.45 -54.63 44.68 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 174.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.5 -36.95 85.48 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.83 -55.41 26.84 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 161.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.97 -34.22 59.13 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.34 -64.76 0.8 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 120.373 1.442 . . . . 0.0 113.546 166.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -61.91 -34.07 75.38 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 mt -65.99 -41.1 91.55 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 169.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -52.09 -58.62 6.02 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 156.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.22 -37.43 78.03 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.95 -45.31 60.66 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 159.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.83 -47.3 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 CA-C-N 119.797 1.18 . . . . 0.0 113.437 167.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.09 -48.49 78.48 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -49.16 -46.06 44.77 Favored 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 162.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.28 -58.39 8.73 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.74 -27.78 64.21 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -63.37 -41.5 98.82 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 159.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.21 -40.21 85.11 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 167.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.37 -42.2 96.3 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 165.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.53 48.01 1.01 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 116.366 1.307 . . . . 0.0 116.366 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.12 105.96 16.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -74.71 -43.94 52.53 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -95.4 118.37 32.02 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 119.581 1.082 . . . . 0.0 109.62 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.1 mt -130.07 104.59 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.75 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -166.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.27 130.95 37.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.396 -0.815 . . . . 0.0 110.726 172.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.27 110.94 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 120.958 -1.089 . . . . 0.0 109.201 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -109.36 111.77 23.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.644 -0.66 . . . . 0.0 110.614 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.76 111.1 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.15 73.72 6.28 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.289 -0.882 . . . . 0.0 110.699 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.31 -83.28 0.64 Allowed Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.527 -0.733 . . . . 0.0 114.333 -167.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -110.27 -36.77 5.72 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 166.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.57 117.15 11.73 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 119.739 1.154 . . . . 0.0 112.008 -172.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.12 117.17 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.165 -0.959 . . . . 0.0 109.121 -170.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -94.52 111.23 22.99 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.602 0.761 . . . . 0.0 109.538 169.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.49 111.2 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.718 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -100.43 93.4 5.62 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.406 1.082 . . . . 0.0 109.804 -171.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.79 145.89 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 121.262 0.553 . . . . 0.0 111.935 -170.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.11 39.28 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.556 1.17 . . . . 0.0 112.511 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -172.631 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.286 7.6 ttpt . . . . . 0 N--CA 1.503 2.188 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.44 100.89 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 148.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.1 109.68 21.71 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.386 1.474 . . . . 0.0 108.698 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -128.86 124.85 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.472 -0.767 . . . . 0.0 110.364 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 m -126.02 106.94 9.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -174.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -112.96 93.46 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -166.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -92.62 110.24 21.66 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 123.256 0.622 . . . . 0.0 111.134 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -106.21 103.46 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -171.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -78.88 114.49 17.86 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 119.685 1.129 . . . . 0.0 113.25 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -114.86 86.32 2.42 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 166.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.251 3.0 m-20 55.18 78.47 0.18 Allowed 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -40.27 2.13 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -79.8 101.52 8.54 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.59 99.12 4.19 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.748 0.785 . . . . 0.0 110.476 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.4 mm -81.6 96.41 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -95.81 118.65 32.87 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.909 -164.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.1 95.87 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 170.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.34 108.58 19.97 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 123.779 0.832 . . . . 0.0 109.613 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.2 pp -128.57 145.64 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 CA-C-O 122.423 1.106 . . . . 0.0 110.476 174.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 -137.1 77.85 1.66 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.366 -168.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.7 t -134.57 153.08 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -164.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -83.34 84.78 7.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 119.551 -1.968 . . . . 0.0 110.546 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.3 p -84.67 132.15 34.5 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -159.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.6 -99.35 1.17 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 123.693 0.663 . . . . 0.0 112.157 168.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -91.16 26.56 2.14 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 164.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -86.43 -49.66 7.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.613 -1.304 . . . . 0.0 112.632 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.7 tp -52.39 -39.32 60.71 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 159.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.02 -53.6 56.21 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.16 -43.27 92.1 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -52.63 63.81 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 165.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.62 -42.27 67.56 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.26 -53.18 59.26 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.82 -39.95 87.85 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 -40.24 95.66 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.27 -54.25 45.87 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 121.348 1.886 . . . . 0.0 114.21 166.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -49.52 -58.79 4.54 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 167.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.98 -43.18 95.29 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.46 -51.65 61.99 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.52 94.63 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 174.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -64.8 -37.73 88.59 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 168.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.58 -46.69 36.99 Favored 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.17 71.95 1.23 Allowed Glycine 0 N--CA 1.49 2.242 0 CA-C-N 119.509 1.049 . . . . 0.0 114.881 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.97 47.83 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.251 33.9 ptt-85 -94.87 -46.12 7.0 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -105.81 102.77 12.19 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 119.975 1.262 . . . . 0.0 109.405 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.02 105.85 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -169.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.28 103.58 16.22 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 118.303 0.502 . . . . 0.0 110.311 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.2 mt -98.58 104.11 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.8 m -104.82 116.0 31.27 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.682 0.674 . . . . 0.0 110.922 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -105.07 110.48 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 175.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -105.45 104.18 13.85 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.82 -179.74 4.39 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.42 -49.06 78.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.816 -1.177 . . . . 0.0 113.98 168.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -137.9 163.2 32.07 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 124.113 0.965 . . . . 0.0 109.692 171.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.0 47.49 0.53 Allowed 'General case' 0 CA--C 1.585 2.295 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 168.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -107.2 -50.92 3.0 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 124.403 1.081 . . . . 0.0 110.005 150.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -53.03 -54.23 38.44 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.7 88.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -56.46 -46.59 80.3 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 166.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.32 -42.27 75.58 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.5 -38.38 80.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 168.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -44.36 -54.51 5.76 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 161.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -57.69 -46.82 83.81 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.8 -47.28 74.21 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 168.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mt -60.09 -48.92 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 119.19 0.905 . . . . 0.0 112.752 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.28 66.1 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 169.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -54.03 -47.78 71.2 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.5 -55.87 19.05 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 165.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.16 -38.33 72.18 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -64.43 -39.69 94.31 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 165.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -60.03 -46.66 88.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 166.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.11 -44.99 94.11 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.02 66.32 0.45 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 119.146 0.884 . . . . 0.0 114.84 172.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.81 126.48 46.52 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 117.48 0.64 . . . . 0.0 111.017 -173.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.92 -47.33 7.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -93.69 104.94 17.01 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.503 1.501 . . . . 0.0 108.813 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.78 105.34 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -78.78 92.41 4.82 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 122.28 1.038 . . . . 0.0 110.532 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -82.49 112.5 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 C-N-CA 124.238 1.015 . . . . 0.0 108.736 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -134.08 109.98 9.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.7 -0.625 . . . . 0.0 111.905 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.92 108.18 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.12 0.968 . . . . 0.0 108.68 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -101.01 80.74 2.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.4 -101.87 0.81 Allowed Glycine 0 N--CA 1.494 2.504 0 O-C-N 121.002 -1.061 . . . . 0.0 114.951 -177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.0 p -88.07 -17.68 30.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 166.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -100.89 97.96 8.5 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.637 1.175 . . . . 0.0 108.456 -161.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.42 101.24 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -168.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.28 117.08 28.74 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 121.678 0.751 . . . . 0.0 111.832 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.9 mm -102.86 99.86 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.633 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -102.76 103.56 13.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.433 0.635 . . . . 0.0 111.683 -170.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.02 140.59 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.534 -0.729 . . . . 0.0 110.802 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -134.88 95.68 3.38 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.499 1.986 0 O-C-N 120.338 -1.476 . . . . 0.0 108.456 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.54 84.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-N 120.464 1.484 . . . . 0.0 107.779 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.15 114.47 23.02 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 108.535 163.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.273 12.7 tt -97.01 107.98 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.752 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 161.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -108.59 118.74 37.57 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.17 126.21 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.3 108.16 19.42 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 160.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.05 93.05 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.31 88.56 7.51 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 123.275 1.512 . . . . 0.0 111.391 -171.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -87.4 151.41 23.1 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.423 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.63 92.59 0.86 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 112.474 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.08 -35.4 3.53 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -160.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -142.35 122.81 14.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 120.047 1.924 . . . . 0.0 111.44 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -86.22 100.96 12.61 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 109.531 162.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -85.34 97.86 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.94 146.76 45.51 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 -160.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 pt -145.82 135.63 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 123.02 0.528 . . . . 0.0 111.62 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -103.2 115.2 30.12 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.964 0.905 . . . . 0.0 110.111 162.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 pp -127.9 121.89 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.811 -1.181 . . . . 0.0 109.517 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -130.38 117.82 20.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.568 0.699 . . . . 0.0 112.492 -167.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.36 174.01 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 123.103 1.43 . . . . 0.0 111.251 -165.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -152.08 88.85 1.41 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 119.512 -1.993 . . . . 0.0 108.68 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -167.24 -54.6 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -158.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.26 -69.32 0.78 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.3 -0.875 . . . . 0.0 113.332 -165.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.45 -40.09 92.81 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.26 -37.31 86.73 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 122.062 2.21 . . . . 0.0 114.7 169.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.91 -43.48 86.22 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 162.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.93 -47.13 71.56 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.951 1.705 . . . . 0.0 115.495 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -49.18 78.58 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 167.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.49 88.31 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -52.18 -51.25 59.24 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 166.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.93 -39.3 93.85 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.88 -47.58 80.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 166.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -54.1 -47.42 71.79 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS 0.252 3.3 pt-20 -55.72 -48.24 75.52 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 170.085 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -62.01 -54.31 43.41 Favored 'General case' 0 CA--C 1.572 1.803 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 171.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 -31.2 72.32 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -53.97 16.58 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 120.389 1.45 . . . . 0.0 113.476 166.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.14 74.74 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -80.49 61.22 4.15 Favored 'General case' 0 CA--C 1.579 2.066 0 CA-C-N 119.723 1.147 . . . . 0.0 112.476 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.199 1.399 . . . . 0.0 112.023 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.39 74.0 1.26 Allowed Glycine 0 N--CA 1.49 2.268 0 CA-C-N 119.447 1.021 . . . . 0.0 115.418 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.14 130.6 38.74 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -78.99 -43.19 24.9 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -117.98 133.1 56.24 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 119.5 1.045 . . . . 0.0 109.106 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.5 t -138.9 109.5 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.193 -1.567 . . . . 0.0 110.315 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -89.15 109.98 20.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.449 -0.782 . . . . 0.0 110.259 169.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -106.12 111.27 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.63 130.98 46.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.2 tt -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 122.557 0.343 . . . . 0.0 111.217 169.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.2 p -83.43 139.02 33.22 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.037 -1.04 . . . . 0.0 113.8 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.81 156.27 24.17 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.42 -38.22 86.95 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 167.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -147.19 174.77 11.29 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.284 1.034 . . . . 0.0 111.115 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.93 -45.8 92.1 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.67 -38.03 88.76 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 169.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.99 -39.35 89.31 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 163.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.55 90.96 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 166.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -52.99 -54.84 29.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 161.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.13 -33.95 76.55 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.89 -39.84 94.16 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 162.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.92 -53.34 54.1 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 161.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -30.98 63.49 Favored 'General case' 0 CA--C 1.578 2.042 0 N-CA-C 116.685 2.105 . . . . 0.0 116.685 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.05 -56.76 9.94 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.006 1.275 . . . . 0.0 114.386 163.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.49 -45.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.787 1.176 . . . . 0.0 113.391 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.88 -45.81 64.26 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 170.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -41.6 99.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 168.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.6 tp -53.89 -50.68 65.81 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 164.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.65 -34.57 77.22 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -62.92 -45.92 90.24 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 161.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HZ3' ' CD ' ' A' ' 35' ' ' GLU . 74.8 tttt -53.75 -48.23 69.91 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 167.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.12 -44.92 87.13 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.34 75.86 1.03 Allowed Glycine 0 N--CA 1.487 2.092 0 CA-C-N 119.637 1.108 . . . . 0.0 114.225 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -126.8 143.87 51.13 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.78 0.8 . . . . 0.0 112.179 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -74.29 -61.97 1.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -102.31 83.33 2.3 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.437 1.017 . . . . 0.0 109.565 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.2 mt -93.18 95.4 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -96.67 105.13 17.19 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.481 0.658 . . . . 0.0 110.602 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 122.23 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-O 121.675 0.75 . . . . 0.0 112.517 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -138.11 70.89 1.39 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -170.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.7 117.21 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.053 -1.029 . . . . 0.0 110.38 -166.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . 0.25 34.3 t30 -94.94 71.63 3.42 Favored 'General case' 0 CA--C 1.572 1.789 0 C-N-CA 124.488 1.115 . . . . 0.0 110.343 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.24 -104.25 1.16 Allowed Glycine 0 N--CA 1.491 2.367 0 O-C-N 121.478 -0.764 . . . . 0.0 114.875 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.6 p -92.69 -10.57 36.73 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 168.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.94 102.04 11.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.794 1.238 . . . . 0.0 109.872 172.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.66 94.88 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -171.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -92.21 113.53 25.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.3 mt -111.9 118.05 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.87 102.29 9.84 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.456 -160.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.04 131.56 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.434 -0.792 . . . . 0.0 109.924 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.15 132.43 56.08 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 121.554 0.692 . . . . 0.0 109.814 158.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.127 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.302 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 119.001 -0.523 . . . . 0.0 110.07 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.01 88.6 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 166.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.65 93.19 9.36 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 121.695 0.76 . . . . 0.0 109.507 -166.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.9 91.92 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -169.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.9 m -104.96 103.66 13.26 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.722 0.809 . . . . 0.0 108.934 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mt -103.83 106.01 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -91.63 103.22 15.84 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.874 0.87 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.0 94.71 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -94.73 107.89 19.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.403 -0.81 . . . . 0.0 111.848 -166.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtp-105 -123.75 75.06 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.077 0.551 . . . . 0.0 111.513 -170.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 48.77 62.22 2.69 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.25 -38.68 3.19 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 -166.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -78.6 81.34 4.92 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 119.343 1.571 . . . . 0.0 111.557 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -93.14 103.99 16.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.513 0.673 . . . . 0.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -97.71 106.43 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.81 120.02 40.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.697 0.799 . . . . 0.0 112.795 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.2 110.71 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -174.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -100.62 125.58 47.02 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.87 0.868 . . . . 0.0 112.706 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 pt -133.07 122.69 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 120.945 -1.097 . . . . 0.0 110.492 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -93.83 115.0 27.37 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.774 -1.204 . . . . 0.0 111.15 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.97 146.69 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 O-C-N 121.628 -0.67 . . . . 0.0 110.173 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -158.33 101.81 1.73 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.44 -2.038 . . . . 0.0 110.892 160.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -164.56 -39.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -172.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.7 68.0 1.72 Allowed Glycine 0 N--CA 1.497 2.743 0 CA-C-N 121.275 1.852 . . . . 0.0 115.082 -164.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.299 17.6 ptmt 176.0 -61.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.548 1.139 . . . . 0.0 111.49 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.26 -24.61 29.87 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.65 -50.03 64.0 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.015 1.28 . . . . 0.0 114.185 158.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -60.12 -36.81 78.29 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -65.73 -56.34 12.59 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 161.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.95 -48.3 81.03 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.59 -42.4 71.03 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -67.55 -43.18 81.31 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-N 120.902 1.683 . . . . 0.0 115.317 172.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.37 -31.16 72.12 Favored 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -69.9 -42.57 73.22 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 121.339 1.881 . . . . 0.0 115.353 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -43.79 -58.56 2.66 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 156.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -55.9 -43.19 77.03 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 170.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.73 -35.58 70.88 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 tp -59.75 -42.85 94.15 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.79 88.77 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 164.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -57.23 -46.49 82.92 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 164.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.22 -47.39 16.04 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.14 88.65 0.23 Allowed Glycine 0 N--CA 1.486 2.0 0 CA-C-N 119.457 1.026 . . . . 0.0 113.534 -168.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.25 124.48 24.57 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.717 0.759 . . . . 0.0 112.682 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -73.3 -45.23 56.65 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -95.89 116.24 28.63 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 119.897 1.226 . . . . 0.0 110.006 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.74 102.23 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.21 101.41 13.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.111 0.965 . . . . 0.0 110.151 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.07 107.4 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -101.23 122.74 44.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mm -112.52 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 165.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -85.42 102.35 13.38 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 119.117 0.871 . . . . 0.0 110.459 171.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.39 169.13 11.33 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -171.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.96 -47.51 68.44 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -130.14 153.43 48.53 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 122.282 1.039 . . . . 0.0 110.774 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -54.4 -34.17 60.77 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 161.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -57.04 -43.8 82.3 Favored 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 165.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.95 -40.33 88.64 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 167.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.15 57.09 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.01 -60.1 4.37 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 173.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.98 -35.77 81.3 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -56.99 -47.94 79.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 165.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.8 tp -52.14 -55.91 17.88 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 167.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.56 -43.19 94.69 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.86 -48.38 81.94 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.5 mt -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 CA-C-N 120.353 1.433 . . . . 0.0 112.836 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.13 82.64 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -49.81 -53.14 27.16 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 161.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -54.5 -53.04 59.61 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.85 -33.38 62.13 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -57.75 -40.52 79.89 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -57.88 -46.59 84.65 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 167.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.99 -48.75 67.5 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.38 57.16 0.04 OUTLIER Glycine 0 N--CA 1.487 2.042 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -127.39 99.77 5.77 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.74 -35.91 65.1 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -90.93 80.44 5.77 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.395 0.998 . . . . 0.0 109.962 -166.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.8 mt -99.82 100.21 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -167.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -113.6 109.64 18.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.507 -0.746 . . . . 0.0 110.602 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -104.17 136.47 37.3 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.23 115.44 30.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 151.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.3 t -85.22 95.18 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 164.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.34 86.42 2.42 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.609 0.719 . . . . 0.0 110.566 -166.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.5 -103.75 1.77 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.548 -0.72 . . . . 0.0 113.244 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.6 p -108.94 7.42 25.95 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 162.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.57 128.11 35.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 120.397 1.453 . . . . 0.0 111.915 166.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.05 89.43 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 151.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 92.06 7.19 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.334 0.653 . . . . 0.0 109.371 176.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -101.39 115.68 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -91.34 115.43 28.02 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.873 -0.517 . . . . 0.0 109.635 162.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.5 m -103.57 138.17 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-O 121.212 0.53 . . . . 0.0 111.33 174.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -128.95 159.64 35.22 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 122.354 1.073 . . . . 0.0 112.112 170.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.0 -1.063 . . . . 0.0 108.255 -175.506 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.6 mptt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.52 86.48 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -93.69 98.35 11.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -161.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mm -85.03 106.0 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 C-N-CA 123.338 0.655 . . . . 0.0 109.532 -171.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.1 m -105.15 100.1 9.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mm -86.55 104.81 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HZ2' ' CD ' ' A' ' 16' ' ' GLU . 39.3 mttt -101.19 103.35 14.38 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.536 1.062 . . . . 0.0 110.619 176.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.91 106.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -98.3 120.42 38.68 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.742 0.782 . . . . 0.0 110.776 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -135.09 131.0 36.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.684 0.794 . . . . 0.0 109.368 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.29 45.65 28.07 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 161.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.39 28.79 73.69 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 119.863 2.705 . . . . 0.0 119.863 -166.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -141.11 97.01 3.09 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 119.285 1.543 . . . . 0.0 109.407 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.15 101.98 14.7 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.91 0.884 . . . . 0.0 111.393 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -91.82 105.75 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 12.6 pt-20 -104.02 115.48 30.51 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.878 0.847 . . . . 0.0 112.622 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -113.18 114.04 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -75.69 116.61 16.58 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 163.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.269 9.8 tp -133.56 61.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.388 1.09 . . . . 0.0 110.04 174.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -71.82 141.41 49.64 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 -170.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.2 t -118.56 123.65 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.651 0.738 . . . . 0.0 109.639 -163.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -137.86 86.51 2.18 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 161.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.299 3.0 t -161.28 -71.09 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 119.016 -0.516 . . . . 0.0 110.888 -168.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.43 125.36 5.62 Favored Glycine 0 N--CA 1.491 2.337 0 CA-C-N 119.523 1.056 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.31 96.7 mttt 72.06 -41.07 0.49 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -169.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -77.32 70.72 3.74 Favored 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 124.092 1.901 . . . . 0.0 110.832 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.3 tp -168.13 -56.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.02 -1.9 . . . . 0.0 107.762 -159.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.72 -46.43 77.75 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 165.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -53.2 -50.96 63.59 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 166.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.52 81.21 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -49.18 -45.0 43.45 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.94 -47.0 76.13 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 172.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.78 -42.61 97.89 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 167.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.276 0.7 OUTLIER -59.5 -45.35 91.97 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.404 1.911 . . . . 0.0 115.589 169.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -50.05 -55.07 16.27 Favored 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 161.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.78 95.46 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -50.81 -53.21 33.91 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 166.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.43 64.47 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.92 -29.29 69.13 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.3 68.18 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.9 61.25 1.61 Allowed Glycine 0 N--CA 1.489 2.224 0 CA-C-N 119.636 1.107 . . . . 0.0 115.234 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.1 156.06 36.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -55.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 168.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -119.9 112.72 19.56 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.662 0.785 . . . . 0.0 108.958 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.92 116.55 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.271 15.8 pt20 -115.37 100.52 8.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.681 0.753 . . . . 0.0 111.547 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.17 113.29 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.8 m -99.09 107.5 19.91 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -104.05 112.08 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -97.56 108.29 20.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 110.917 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.75 166.7 10.74 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.48 -50.36 59.33 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -126.23 160.97 28.83 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.446 1.117 . . . . 0.0 111.99 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -56.41 -40.25 74.39 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.98 2.215 . . . . 0.0 116.98 168.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.48 -45.72 62.88 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 163.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -61.18 -53.75 53.02 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 168.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.29 -42.13 40.22 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.612 2.449 . . . . 0.0 117.612 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -56.8 -55.81 29.62 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 170.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.37 -36.11 78.72 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.0 -42.68 94.28 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 172.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.5 tp -42.92 -57.07 2.99 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 157.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.01 -46.73 83.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -54.9 -47.67 74.03 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 168.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.84 -47.89 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 120.146 1.339 . . . . 0.0 112.986 172.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.53 -50.74 62.25 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 168.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -55.06 -46.65 75.39 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 168.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.04 -57.29 9.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.71 -40.55 72.76 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.43 -45.61 80.66 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 163.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -57.15 -44.06 83.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.65 -53.02 60.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.38 68.86 0.05 OUTLIER Glycine 0 N--CA 1.487 2.057 0 CA-C-N 118.937 0.79 . . . . 0.0 113.85 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.69 135.53 38.27 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.012 0.525 . . . . 0.0 111.032 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -109.03 -49.14 3.17 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -172.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.17 82.81 7.91 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 120.068 1.304 . . . . 0.0 110.175 -170.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.26 98.74 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -166.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.73 102.31 11.89 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.035 0.922 . . . . 0.0 109.798 -173.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.48 129.94 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.431 0.692 . . . . 0.0 110.029 -172.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -132.12 129.84 40.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.502 -0.749 . . . . 0.0 110.1 162.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.8 107.34 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -94.66 85.71 4.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.506 -0.746 . . . . 0.0 109.959 172.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.66 -97.48 0.71 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 121.67 -0.644 . . . . 0.0 113.977 -173.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 p -107.97 2.15 23.05 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.4 96.46 8.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.477 1.49 . . . . 0.0 110.272 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.9 t -99.12 101.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -95.17 116.83 29.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.616 0.644 . . . . 0.0 112.365 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 mm -105.87 96.51 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -91.74 118.14 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.22 0.608 . . . . 0.0 111.633 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.31 127.94 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 122.84 0.456 . . . . 0.0 111.893 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -103.51 145.76 29.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.902 0.858 . . . . 0.0 111.575 169.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 123.345 1.545 . . . . 0.0 112.896 -176.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -83.35 112.19 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.567 0.747 . . . . 0.0 109.075 -170.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -75.69 119.73 20.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 168.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.97 85.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 166.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.0 m -84.88 115.57 22.84 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.956 -1.09 . . . . 0.0 109.975 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.52 112.22 32.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -108.27 111.31 23.2 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.564 -0.71 . . . . 0.0 110.004 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mt -89.49 104.17 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -95.77 89.77 5.41 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.508 0.671 . . . . 0.0 111.085 -171.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.11 74.33 4.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.939 -1.101 . . . . 0.0 111.353 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 52.91 58.31 5.46 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.64 -48.98 1.47 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 116.654 1.422 . . . . 0.0 116.654 -164.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.55 99.65 4.32 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.39 1.595 . . . . 0.0 111.347 -177.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.23 97.99 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.764 0.793 . . . . 0.0 112.456 -163.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 92.03 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.02 -1.05 . . . . 0.0 108.955 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.35 124.32 33.25 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.21 122.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.564 0.697 . . . . 0.0 110.406 174.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.88 92.23 5.73 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 124.179 0.992 . . . . 0.0 112.69 -172.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.7 mt -88.25 94.57 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.357 -1.464 . . . . 0.0 108.596 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -103.63 108.81 20.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.465 -0.772 . . . . 0.0 111.461 -168.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.9 137.21 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.344 -0.848 . . . . 0.0 110.564 -162.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 t -143.26 83.21 1.78 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.893 -1.13 . . . . 0.0 112.226 171.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.265 3.0 t -165.39 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.16 -62.77 0.42 Allowed Glycine 0 N--CA 1.491 2.329 0 CA-C-N 119.333 0.969 . . . . 0.0 114.01 -164.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.96 -129.06 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.796 164.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.286 19.0 tt0 67.5 -60.24 0.39 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -54.76 -47.15 74.23 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 162.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -51.32 -44.53 61.98 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.15 -49.31 74.87 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 168.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.34 92.86 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 116.655 2.095 . . . . 0.0 116.655 170.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.47 -44.59 65.69 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 170.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -59.58 -48.53 81.31 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 169.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.36 -37.94 89.27 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.78 -47.95 82.93 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 120.826 1.648 . . . . 0.0 115.118 169.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 32.4 tt0 -49.65 -54.09 20.55 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 165.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -53.07 -55.44 23.81 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.44 94.81 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.77 -41.21 97.41 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.9 -51.56 57.6 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 166.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.43 -37.94 83.81 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.44 -35.44 70.92 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 167.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.04 68.21 1.14 Allowed Glycine 0 N--CA 1.487 2.079 0 CA-C-N 119.068 0.849 . . . . 0.0 113.886 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.96 93.51 9.5 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -43.25 73.07 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -121.93 129.82 52.84 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.499 1.045 . . . . 0.0 109.015 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.5 120.91 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.262 12.2 pt20 -103.42 112.59 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.557 -0.715 . . . . 0.0 111.687 167.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.26 113.56 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -107.02 109.84 21.83 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 116.87 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 122.672 0.389 . . . . 0.0 111.328 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -88.74 106.44 18.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.723 -0.611 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.64 160.07 14.9 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.2 -41.85 85.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 177.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -144.11 166.5 24.84 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 124.49 1.116 . . . . 0.0 110.866 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.57 -43.18 75.69 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.06 -44.74 96.04 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.2 -48.92 77.56 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 167.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.95 -42.96 63.27 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 164.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.49 93.0 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.74 -46.69 74.64 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 120.08 1.309 . . . . 0.0 114.238 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.28 -35.86 70.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 170.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.6 tp -52.06 -50.57 61.25 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 165.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -54.94 27.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 165.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.18 -45.0 72.0 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.9 mt -68.48 -57.09 10.08 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.996 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.815 169.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.97 67.17 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.97 -44.79 87.28 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.12 -52.05 65.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 164.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.9 -50.45 73.72 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -62.19 -35.34 78.53 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HZ1' ' CD ' ' A' ' 35' ' ' GLU . 19.2 ttpp -64.6 -40.08 94.88 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 165.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -49.01 79.22 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.08 57.97 0.33 Allowed Glycine 0 N--CA 1.485 1.936 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -109.25 112.51 24.7 Favored 'General case' 0 CA--C 1.561 1.384 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -63.23 -40.69 98.17 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -105.4 121.84 44.74 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 mt -125.94 94.74 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -108.65 99.82 9.14 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.446 -0.784 . . . . 0.0 110.399 -157.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -102.48 129.6 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 123.369 0.667 . . . . 0.0 111.148 -161.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -140.21 124.94 18.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.402 -0.811 . . . . 0.0 110.674 163.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.49 123.67 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 O-C-N 121.44 -0.787 . . . . 0.0 111.938 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -96.79 86.97 4.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.286 -0.884 . . . . 0.0 109.698 169.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.47 -93.75 0.72 Allowed Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.612 -0.68 . . . . 0.0 113.74 -172.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -110.07 -2.75 16.82 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 164.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -82.59 101.95 11.11 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.499 1.5 . . . . 0.0 110.894 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.7 t -85.99 100.49 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -94.69 101.24 13.08 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.643 0.777 . . . . 0.0 109.467 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.7 mt -102.9 108.91 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -94.75 114.58 26.51 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.227 0.537 . . . . 0.0 110.533 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -96.42 143.0 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.03 127.99 41.06 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 124.4 2.048 . . . . 0.0 111.251 -176.505 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.265 0.555 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -136.52 78.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 161.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.68 134.67 37.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.634 -0.666 . . . . 0.0 110.611 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 pp -107.0 111.03 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 157.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 m -108.88 103.07 12.05 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -112.33 106.42 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -110.87 118.04 35.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.345 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mt -97.34 109.4 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -82.47 82.53 7.87 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.659 0.742 . . . . 0.0 109.478 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -97.0 97.36 9.18 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.37 -0.831 . . . . 0.0 111.168 -162.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.366 7.8 m-20 77.56 -77.82 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 122.141 0.972 . . . . 0.0 112.196 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.87 57.48 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 CA-C-N 114.625 -1.17 . . . . 0.0 113.322 150.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -144.98 103.82 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 117.481 0.641 . . . . 0.0 109.803 -174.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.53 101.4 8.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.84 98.23 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.51 124.98 31.28 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.807 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.6 mm -117.63 95.81 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 167.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.55 96.79 6.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.301 1.04 . . . . 0.0 111.403 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.37 144.39 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.919 -1.113 . . . . 0.0 111.444 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -106.15 144.33 33.01 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.03 89.56 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.675 -0.641 . . . . 0.0 109.492 -161.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.7 p -103.85 84.16 2.22 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.522 -1.361 . . . . 0.0 114.446 -162.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -179.41 -54.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 123.71 0.804 . . . . 0.0 112.813 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.8 -59.63 0.45 Allowed Glycine 0 N--CA 1.49 2.259 0 CA-C-N 119.059 0.845 . . . . 0.0 113.526 -155.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 17.2 mmtm -63.8 -44.2 94.01 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -53.78 -47.22 70.95 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 162.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.82 -47.42 85.18 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 173.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.451 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 36.9 tt0 -51.19 -53.47 34.61 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 166.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.78 -47.33 86.14 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.3 47.0 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 170.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.06 -40.15 84.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.55 -53.31 48.01 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 165.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.255 15.3 tp10 -66.15 -32.19 73.48 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.6 -50.45 70.09 Favored 'General case' 0 N--CA 1.504 2.257 0 CA-C-N 123.489 2.859 . . . . 0.0 114.736 165.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -47.95 -52.83 18.09 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.77 -53.48 57.5 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 169.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.48 73.95 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -55.53 -45.46 77.19 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 170.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.65 -47.71 62.38 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 166.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -56.94 -51.41 69.27 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 -19.49 52.85 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.53 65.0 2.06 Favored Glycine 0 N--CA 1.489 2.205 0 CA-C-N 120.107 1.321 . . . . 0.0 114.515 -172.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 90.8 8.53 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.44 1.114 . . . . 0.0 113.19 -168.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -63.98 -44.33 93.03 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -136.35 103.19 5.2 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -171.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.26 114.88 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.116 -0.99 . . . . 0.0 108.965 -166.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 117.07 27.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.48 -0.762 . . . . 0.0 110.185 162.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.55 100.71 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -99.27 107.17 19.41 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 tt -103.44 116.83 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 t -101.14 106.35 17.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.969 -0.457 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.93 169.61 9.52 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -77.39 -44.18 30.13 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -107.69 154.04 22.05 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.084 0.856 . . . . 0.0 112.226 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.02 -45.46 94.71 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 165.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -54.97 -39.15 68.66 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 167.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.79 -53.72 55.2 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 166.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.5 79.79 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 171.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -51.16 -51.63 51.83 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 164.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.04 -44.43 92.53 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 170.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.53 -33.92 71.98 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 tp -54.91 -53.56 53.97 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 166.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -48.66 -57.42 6.29 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 163.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -57.75 -46.49 84.44 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.25 -56.21 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.007 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.131 170.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.05 66.06 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -58.64 -40.41 83.34 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 166.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -50.3 74.07 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 164.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.5 mt -58.46 -43.54 88.92 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -51.6 -46.66 63.63 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 161.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -18.36 63.55 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 171.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.6 -59.44 2.72 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.403 1.91 . . . . 0.0 112.844 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.95 79.03 0.45 Allowed Glycine 0 N--CA 1.484 1.89 0 CA-C-N 118.709 0.686 . . . . 0.0 113.165 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -132.9 127.56 34.64 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.269 0.628 . . . . 0.0 109.894 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.92 -46.01 54.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.98 127.24 39.65 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.4 mm -125.03 88.33 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -99.59 94.23 6.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 111.166 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -83.27 129.66 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 121.307 -0.871 . . . . 0.0 112.286 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 111.34 13.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 166.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 t -94.47 128.5 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.565 -0.709 . . . . 0.0 109.835 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -110.67 71.13 0.74 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.404 -0.81 . . . . 0.0 110.742 169.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.63 -98.58 0.35 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 121.546 -0.722 . . . . 0.0 114.844 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -91.93 -8.44 46.29 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.92 111.65 22.78 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 119.656 1.117 . . . . 0.0 109.852 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 t -103.95 102.5 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -90.85 102.1 14.86 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.62 0.645 . . . . 0.0 111.604 169.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.8 mt -94.88 105.07 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -87.89 106.27 17.99 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.481 1.112 . . . . 0.0 110.243 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.0 128.95 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.142 0.496 . . . . 0.0 111.213 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -128.96 133.57 47.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.364 0.602 . . . . 0.0 110.837 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.263 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.645 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.3 108.73 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -122.99 110.85 15.89 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -172.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.16 91.07 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-N 120.074 1.307 . . . . 0.0 109.209 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -87.73 105.29 17.28 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 122.049 0.928 . . . . 0.0 108.565 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.93 107.83 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -98.94 97.33 8.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.321 0.581 . . . . 0.0 110.591 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -81.55 98.06 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -91.74 93.48 8.9 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.772 1.273 . . . . 0.0 108.355 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 123.13 49.59 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.103 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 37.54 69.54 0.23 Allowed 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 168.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.89 30.51 73.29 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 119.988 2.755 . . . . 0.0 119.988 -171.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -148.37 106.12 3.69 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 119.584 1.692 . . . . 0.0 110.83 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -82.74 103.34 12.17 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.928 0.891 . . . . 0.0 111.294 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.3 mt -104.96 100.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -98.84 121.28 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.93 97.5 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.76 107.96 19.62 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.014 0.926 . . . . 0.0 111.408 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.276 2.5 pp -127.27 130.88 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 120.895 -1.128 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -114.55 117.47 31.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.566 0.746 . . . . 0.0 110.105 -164.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.01 93.14 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.926 0.87 . . . . 0.0 109.654 -155.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -87.36 65.94 8.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.768 -1.208 . . . . 0.0 113.766 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -168.78 156.44 7.67 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.929 0.871 . . . . 0.0 112.322 -155.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.67 156.33 15.72 Favored Glycine 0 N--CA 1.492 2.375 0 CA-C-O 121.693 0.607 . . . . 0.0 114.171 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.363 60.5 mttp 72.27 -48.42 0.68 Allowed 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.78 -49.72 74.46 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 162.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 tp -54.8 -50.63 68.06 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -48.34 -54.83 12.43 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 166.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -61.68 -46.65 88.8 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.95 79.64 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.63 -40.18 78.61 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.64 -42.11 95.69 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.85 -36.85 81.05 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 121.128 1.786 . . . . 0.0 115.583 166.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -66.35 -40.25 89.69 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -44.24 -55.54 4.79 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 155.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -58.9 -52.48 65.58 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.03 72.59 Favored 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 167.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tt -54.24 -54.64 37.25 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.81 74.23 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 171.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -59.38 -33.12 70.8 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.14 75.29 Favored 'General case' 0 CA--C 1.566 1.595 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 168.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.87 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 119.952 1.251 . . . . 0.0 115.166 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.98 142.24 43.37 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -164.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -86.41 -44.83 11.71 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.13 100.48 6.57 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 119.628 1.104 . . . . 0.0 108.809 -174.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 t -108.92 115.24 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.25 -1.531 . . . . 0.0 108.56 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -107.21 98.37 8.01 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.585 0.754 . . . . 0.0 110.817 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.5 109.16 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -113.39 109.82 19.32 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -98.12 112.67 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.612 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -83.67 97.13 8.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.959 -0.463 . . . . 0.0 110.778 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.16 155.92 17.69 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.397 1.094 . . . . 0.0 113.864 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.05 -43.97 32.51 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -123.04 157.75 32.07 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 122.311 1.053 . . . . 0.0 111.67 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -51.72 -51.11 58.57 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 161.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -56.17 -33.43 65.25 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.3 -56.87 11.57 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 120.137 1.335 . . . . 0.0 113.632 161.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.76 51.06 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -50.56 73.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 171.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.25 8.5 pt-20 -72.94 -32.57 65.36 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 172.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.28 -39.66 95.2 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 165.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -48.28 -54.9 12.03 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 159.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -45.4 93.33 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 173.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 tp -54.04 -49.24 69.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.55 -48.37 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 CA-C-N 119.456 1.025 . . . . 0.0 111.952 171.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.42 -46.39 66.32 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 171.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -50.32 -51.48 44.99 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.89 -49.8 72.39 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.45 -41.25 96.65 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -59.44 -45.13 92.45 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 166.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -56.68 -48.11 78.38 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 164.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.36 -47.0 87.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 174.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.72 72.8 0.82 Allowed Glycine 0 N--CA 1.488 2.135 0 CA-C-N 119.294 0.952 . . . . 0.0 114.426 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -132.74 130.92 40.62 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.095 0.558 . . . . 0.0 110.613 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -81.32 -48.71 11.62 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -93.75 83.77 4.49 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.603 1.092 . . . . 0.0 109.709 -164.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.8 mt -97.21 95.28 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -168.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -88.38 96.27 10.53 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 124.466 1.107 . . . . 0.0 111.159 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.3 122.23 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 110.372 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -124.59 117.86 25.26 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 121.478 -0.764 . . . . 0.0 109.342 161.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.43 97.68 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 165.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -91.88 73.84 5.68 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 123.896 0.878 . . . . 0.0 110.471 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.14 -103.81 1.64 Allowed Glycine 0 N--CA 1.491 2.306 0 O-C-N 121.525 -0.735 . . . . 0.0 113.836 -167.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.2 p -102.13 -15.43 16.7 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 167.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -67.64 113.04 5.12 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-N 119.973 1.26 . . . . 0.0 111.629 169.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.0 t -100.76 98.82 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -96.75 100.73 12.26 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.285 1.034 . . . . 0.0 108.763 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.7 mt -112.3 105.36 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -100.92 118.49 37.06 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.363 0.665 . . . . 0.0 110.555 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.2 m -101.34 131.52 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.209 1.004 . . . . 0.0 111.988 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -122.78 153.7 39.17 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 122.651 1.215 . . . . 0.0 110.506 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -172.621 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 . . . . . 0 CA--C 1.573 1.848 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.346 38.1 tpp 63.26 -101.81 0.1 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-N 120.094 1.316 . . . . 0.0 112.913 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -150.62 69.4 0.98 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 119.033 0.833 . . . . 0.0 109.399 170.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -141.92 89.33 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.64 112.0 23.59 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.75 90.27 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m -104.93 116.87 32.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.897 -0.502 . . . . 0.0 110.442 -170.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.81 106.16 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -94.13 109.51 21.28 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 119.308 0.958 . . . . 0.0 109.469 164.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -89.33 110.92 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -86.84 107.69 18.42 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.822 0.82 . . . . 0.0 108.797 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -103.62 -175.25 2.75 Favored 'General case' 0 CA--C 1.571 1.775 0 CA-C-O 122.852 1.311 . . . . 0.0 111.773 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.06 91.2 0.07 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.69 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.78 79.36 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 120.166 2.826 . . . . 0.0 120.166 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -160.02 131.47 5.97 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.912 1.856 . . . . 0.0 109.544 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.27 136.24 33.24 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.418 0.628 . . . . 0.0 112.158 160.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.39 105.96 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -105.78 125.9 51.53 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.289 0.566 . . . . 0.0 111.551 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 pt -132.94 126.07 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.21 0.604 . . . . 0.0 109.537 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -110.93 129.68 55.81 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.441 0.696 . . . . 0.0 111.395 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.1 mm -116.61 82.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -96.8 121.25 38.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.787 -1.195 . . . . 0.0 113.354 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.93 138.58 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.613 -0.679 . . . . 0.0 111.699 -158.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -121.41 105.93 10.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.969 -1.082 . . . . 0.0 109.474 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -160.37 -66.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.1 130.82 5.55 Favored Glycine 0 N--CA 1.484 1.864 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -155.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.355 64.7 mmtt 77.52 -34.98 0.2 Allowed 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 168.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' CD ' ' HE ' ' A' ' 29' ' ' ARG . 4.9 mm-40 -61.95 -30.73 71.11 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 161.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.47 -54.32 42.5 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 119.902 1.228 . . . . 0.0 113.747 163.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.44 -49.36 74.79 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' HE ' ' CD ' ' A' ' 26' ' ' GLU . 25.9 mtp85 -58.38 -49.05 78.62 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 172.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.81 87.28 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 166.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.8 -42.14 64.81 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -59.55 -49.71 76.7 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 169.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.2 -36.05 80.92 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.83 -44.26 94.15 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 168.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -58.72 4.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -50.36 -48.39 55.66 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 166.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.96 82.52 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.78 -45.52 74.28 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -47.72 77.49 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -60.84 -47.08 87.98 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.75 65.9 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.03 63.25 2.58 Favored Glycine 0 N--CA 1.488 2.164 0 CA-C-N 119.53 1.059 . . . . 0.0 114.597 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 94.77 9.98 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.682 0.753 . . . . 0.0 112.326 -169.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -72.72 -36.55 67.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -125.14 112.27 16.27 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 119.635 1.107 . . . . 0.0 108.242 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.62 124.77 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.144 -0.973 . . . . 0.0 109.557 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -99.33 104.08 15.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 165.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.25 113.77 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 m -108.81 112.62 24.98 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.76 105.7 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -75.07 84.87 2.31 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 124.786 1.234 . . . . 0.0 111.737 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.15 154.84 17.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -166.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.56 -37.0 57.3 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -146.73 171.34 15.31 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.544 1.164 . . . . 0.0 112.12 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.75 -44.43 85.91 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.2 -42.79 99.37 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.04 -53.72 49.13 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 163.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.28 55.15 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' HZ3' ' CD ' ' A' ' 63' ' ' GLU . 9.5 tmtt? -56.84 -61.64 2.3 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 120.574 1.534 . . . . 0.0 113.92 169.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -70.24 -28.72 65.48 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.1 -45.45 91.99 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.349 1.886 . . . . 0.0 114.029 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.14 -55.7 6.67 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 163.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' A' ' 59' ' ' LYS . 38.1 mt-10 -72.1 -34.2 68.44 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 175.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.6 -44.55 69.51 Favored 'General case' 0 N--CA 1.505 2.306 0 CA-C-N 123.069 2.668 . . . . 0.0 116.069 162.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.31 -47.82 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.031 0 CA-C-N 119.524 1.057 . . . . 0.0 112.452 170.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.22 71.89 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -50.51 -47.38 57.38 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 166.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.12 -59.54 4.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.41 -31.3 62.27 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -63.6 -35.2 79.73 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -47.22 85.28 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 120.971 1.714 . . . . 0.0 114.729 165.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.2 -43.06 87.83 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.71 68.2 0.57 Allowed Glycine 0 N--CA 1.487 2.08 0 CA-C-N 119.457 1.026 . . . . 0.0 114.573 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.88 123.78 50.03 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.068 0.547 . . . . 0.0 110.484 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.62 -44.65 56.5 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.67 80.72 1.94 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.192 0.905 . . . . 0.0 110.083 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.2 mt -96.78 95.92 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -166.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 102.86 12.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.504 -0.747 . . . . 0.0 110.792 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -88.85 134.37 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -133.03 123.8 26.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 109.184 155.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.47 115.7 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -88.96 83.58 6.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.12 -89.96 0.5 Allowed Glycine 0 N--CA 1.492 2.396 0 O-C-N 121.917 -0.489 . . . . 0.0 113.926 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.2 p -104.68 -10.08 17.74 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 166.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.21 105.79 18.05 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.501 1.5 . . . . 0.0 109.985 -165.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -93.38 100.98 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -165.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -91.49 120.19 32.1 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.272 0.942 . . . . 0.0 111.524 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.9 mt -115.79 111.0 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -95.13 111.32 23.16 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.59 123.12 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 123.103 0.561 . . . . 0.0 111.739 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -120.57 121.82 39.21 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.023 0.439 . . . . 0.0 110.388 -172.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 122.775 1.274 . . . . 0.0 108.59 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 CA--C 1.56 1.334 0 CA-C-O 121.103 0.477 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -77.23 115.07 16.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -0.909 . . . . 0.0 110.718 174.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -118.13 -72.71 0.67 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.176 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.36 91.63 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.75 119.23 33.02 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.897 -0.502 . . . . 0.0 110.393 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.06 86.08 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -86.49 104.97 16.46 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 122.014 0.912 . . . . 0.0 109.088 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.3 mt -95.21 134.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.004 0.922 . . . . 0.0 109.157 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -126.5 102.42 7.11 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 156.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 pt -98.84 116.45 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.28 -0.887 . . . . 0.0 110.778 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.1 102.72 15.37 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -94.8 83.28 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.433 1.093 . . . . 0.0 111.053 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.9 55.09 10.08 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.95 -48.17 1.16 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -163.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -79.26 100.52 7.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 118.687 1.243 . . . . 0.0 112.948 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.28 107.27 11.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.011 -1.056 . . . . 0.0 111.659 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -103.25 112.53 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -116.92 138.44 51.54 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -164.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -145.28 121.19 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' CG ' HH21 ' A' ' 20' ' ' ARG . 6.6 p-10 -95.05 105.4 17.32 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.584 -0.698 . . . . 0.0 111.113 168.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.65 94.19 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 HH21 ' CG ' ' A' ' 18' ' ' ASP . 2.5 ptp85 -93.15 97.12 10.46 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 123.244 0.617 . . . . 0.0 111.971 -171.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -144.05 88.94 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 -161.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.0 p -93.99 85.51 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.546 -1.346 . . . . 0.0 111.746 172.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -166.62 155.87 11.03 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.914 0.885 . . . . 0.0 109.814 -164.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.69 -64.19 1.91 Allowed Glycine 0 N--CA 1.495 2.569 0 O-C-N 120.77 -1.206 . . . . 0.0 114.397 165.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.89 140.26 51.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 122.389 -0.477 . . . . 0.0 111.791 168.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.4 46.0 mt-10 89.83 -51.4 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.498 1.119 . . . . 0.0 113.891 -165.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -55.28 -53.52 55.06 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 120.388 1.449 . . . . 0.0 114.866 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.06 -41.71 92.96 Favored 'General case' 0 CA--C 1.575 1.923 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 171.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.85 -46.13 90.79 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 169.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -52.53 65.19 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 166.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -49.21 -49.17 44.13 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.5 -21.0 61.27 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -87.98 -32.34 18.9 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 122.334 2.334 . . . . 0.0 115.257 163.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.24 -42.3 99.2 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.367 -1.458 . . . . 0.0 114.873 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -50.37 -42.07 52.8 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 160.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -66.99 -50.58 61.79 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.362 1.465 . . . . 0.0 113.77 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.08 63.93 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 165.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.37 -55.15 14.95 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-N 120.05 1.295 . . . . 0.0 114.41 166.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.32 62.1 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -80.45 63.66 4.98 Favored 'General case' 0 CA--C 1.579 2.07 0 CA-C-O 122.301 1.048 . . . . 0.0 112.211 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.45 -61.27 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 125.264 1.425 . . . . 0.0 111.049 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.74 78.74 0.98 Allowed Glycine 0 N--CA 1.487 2.089 0 CA-C-N 119.527 1.058 . . . . 0.0 114.314 -172.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.81 150.84 21.41 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-O 121.759 0.79 . . . . 0.0 112.919 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -80.15 -69.71 0.57 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.72 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -107.15 112.09 24.83 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.729 1.149 . . . . 0.0 109.528 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.87 97.68 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -108.35 103.51 12.68 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.402 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -110.43 116.11 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -94.94 111.83 23.59 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.271 11.9 mt -100.97 103.48 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 p -90.97 104.94 17.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.783 -0.573 . . . . 0.0 111.973 -177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.36 169.26 9.68 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.47 -33.24 54.69 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.84 158.13 44.59 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 119.759 1.163 . . . . 0.0 111.312 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.59 -47.56 85.08 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.77 -41.09 90.33 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 166.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.52 -41.94 95.44 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.81 82.04 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 163.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -55.54 -49.58 72.27 Favored 'General case' 0 CA--C 1.577 2.007 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 166.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.72 -43.4 85.25 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 171.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.38 -46.29 80.69 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.9 tp -45.22 -54.53 6.86 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 121.114 1.779 . . . . 0.0 115.774 164.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.7 -48.55 77.45 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 168.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -48.7 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.626 1.103 . . . . 0.0 112.421 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.28 -43.64 64.55 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -56.67 -42.43 78.99 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 116.015 1.858 . . . . 0.0 116.015 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.02 -48.63 80.9 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 166.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.1 mt -50.55 -47.69 57.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -57.98 -44.85 87.35 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -62.28 -43.56 98.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 168.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.55 -45.31 93.55 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.52 38.05 3.82 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.82 165.14 25.65 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.721 1.26 . . . . 0.0 113.967 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -111.01 -59.7 1.93 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.361 -0.837 . . . . 0.0 111.823 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.11 106.19 18.32 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.6 107.65 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -117.2 124.78 49.95 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 123.728 0.811 . . . . 0.0 111.568 -175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -106.74 128.22 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.271 -0.893 . . . . 0.0 109.412 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -129.84 104.65 7.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.048 -1.033 . . . . 0.0 109.679 165.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -95.63 105.78 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -92.02 83.95 5.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.479 -0.763 . . . . 0.0 110.076 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.73 -95.55 0.71 Allowed Glycine 0 N--CA 1.49 2.245 0 O-C-N 121.812 -0.555 . . . . 0.0 113.675 -172.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.5 p -110.74 1.38 17.81 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 166.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.0 97.96 7.0 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.595 1.543 . . . . 0.0 110.494 173.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.4 t -87.49 91.18 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -83.32 110.14 17.86 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.447 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.87 104.6 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.557 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -106.97 104.02 13.59 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.42 1.088 . . . . 0.0 109.642 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.1 m -123.46 137.09 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -134.38 161.93 33.62 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 123.15 1.452 . . . . 0.0 112.918 170.689 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.92 1.343 . . . . 0.0 109.025 -163.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.9 ttt -152.02 69.7 0.91 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.145 -0.972 . . . . 0.0 111.781 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.8 tttt 173.42 116.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.45 111.91 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.147 -0.971 . . . . 0.0 111.567 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.22 118.61 18.33 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 123.258 0.623 . . . . 0.0 110.921 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.275 38.0 pt -105.11 94.63 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -103.55 105.34 15.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.64 109.3 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -170.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -97.48 110.6 23.13 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.759 0.79 . . . . 0.0 111.203 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.8 mt -88.93 102.01 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.1 103.83 16.29 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.552 0.692 . . . . 0.0 110.24 -172.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -117.56 157.5 26.23 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.505 0.722 . . . . 0.0 110.89 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -61.91 116.83 5.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.919 -1.113 . . . . 0.0 112.802 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.37 -32.95 6.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 118.411 2.124 . . . . 0.0 118.411 -168.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -136.56 115.21 12.01 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.1 1.95 . . . . 0.0 110.233 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -86.72 111.29 20.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.527 -0.733 . . . . 0.0 109.035 160.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.7 mt -102.91 82.39 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -78.7 112.55 15.93 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.306 1.05 . . . . 0.0 112.514 168.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 pt -108.47 118.35 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.294 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -116.81 98.55 6.57 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 122.245 1.022 . . . . 0.0 113.162 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.48 134.28 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 C-N-CA 124.219 1.008 . . . . 0.0 108.831 -170.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -109.09 99.74 9.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 119.585 -1.947 . . . . 0.0 110.622 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.08 150.99 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 122.818 1.295 . . . . 0.0 114.442 -162.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -87.22 102.92 14.94 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.369 1.068 . . . . 0.0 109.963 167.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.24 87.21 3.07 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -160.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.16 -82.7 0.04 OUTLIER Glycine 0 N--CA 1.487 2.084 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 158.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.04 -30.91 67.22 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 167.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -67.27 -48.5 67.53 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.996 1.725 . . . . 0.0 113.853 168.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -47.33 -55.17 9.31 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -54.92 -49.11 72.09 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -67.85 -43.85 78.53 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.51 73.22 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 166.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 tp -50.93 -47.0 61.11 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.3 -47.01 87.85 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 168.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.15 -37.29 69.43 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.69 -43.04 89.88 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 164.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 34.8 tt0 -51.31 -51.96 49.55 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 160.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -54.93 -53.18 58.84 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.23 93.62 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.866 2.172 . . . . 0.0 116.866 172.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.0 -49.31 68.22 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.24 86.54 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -81.79 47.13 1.05 Allowed 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 119.29 0.95 . . . . 0.0 113.487 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.95 -63.9 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.834 1.254 . . . . 0.0 111.599 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.48 67.6 1.79 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.48 143.26 26.92 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -59.64 -47.06 87.08 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -123.44 136.23 54.5 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 119.232 0.924 . . . . 0.0 109.698 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.31 126.03 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.81 -1.181 . . . . 0.0 108.623 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -125.57 103.39 7.84 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.065 0.546 . . . . 0.0 111.116 -167.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.65 114.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -105.31 115.1 29.69 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 118.726 0.694 . . . . 0.0 109.45 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mm -109.73 108.95 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 t -81.22 84.13 6.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.463 -0.773 . . . . 0.0 112.017 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.95 155.28 25.31 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -164.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.42 -42.92 67.68 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -136.03 157.75 46.07 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.155 0.982 . . . . 0.0 111.062 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -57.48 -42.68 83.1 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.662 2.467 . . . . 0.0 117.662 172.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.67 -45.42 89.45 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 169.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.05 -43.94 87.14 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 165.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.54 67.24 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 168.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -47.61 85.01 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 121.07 1.759 . . . . 0.0 115.411 165.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.73 -46.11 84.88 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 170.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.4 -49.57 76.33 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.33 -53.29 17.96 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 167.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.51 -48.86 80.02 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.85 -45.36 82.47 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.06 -48.56 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-N 120.189 1.359 . . . . 0.0 112.837 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.48 76.38 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -49.87 -46.35 51.43 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 163.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.79 -54.0 51.34 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.54 -34.27 72.07 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 161.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -55.57 -43.79 76.25 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 165.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.5 -5.8 26.43 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.42 -1.81 56.01 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 119.78 2.672 . . . . 0.0 119.78 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -81.56 154.04 26.43 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 119.963 1.882 . . . . 0.0 113.366 -172.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.85 -67.27 1.0 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -161.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.6 83.43 7.89 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.751 1.16 . . . . 0.0 110.382 -166.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.0 mt -86.92 98.76 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -166.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -86.43 100.51 12.4 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.737 0.815 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.02 106.43 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -126.01 80.74 1.93 Allowed 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.24 110.71 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 109.743 -171.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -88.14 78.28 8.15 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.58 0.705 . . . . 0.0 111.047 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.44 -96.98 0.84 Allowed Glycine 0 N--CA 1.492 2.414 0 O-C-N 121.504 -0.747 . . . . 0.0 113.841 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.9 p -99.01 -7.49 26.78 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 163.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.04 100.26 6.43 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.919 1.691 . . . . 0.0 112.624 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -84.18 93.04 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -100.91 102.28 13.28 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.31 0.576 . . . . 0.0 110.06 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -106.73 103.96 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -170.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.71 119.59 39.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.533 0.733 . . . . 0.0 110.523 -176.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.5 m -128.67 139.63 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.881 -0.512 . . . . 0.0 111.928 -164.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -103.59 154.68 19.23 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.171 -0.956 . . . . 0.0 112.897 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 122.483 1.135 . . . . 0.0 110.068 173.638 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.635 ' N ' ' HG ' ' A' ' 51' ' ' SER . 77.6 m-70 . . . . . 0 CA--C 1.574 1.898 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.293 48.4 mtt 85.68 121.97 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 125.558 1.543 . . . . 0.0 112.648 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.416 55.9 tptt 74.22 -94.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.826 1.25 . . . . 0.0 113.155 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.81 99.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -101.73 154.18 19.13 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.814 1.293 . . . . 0.0 111.782 163.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.1 pt -126.67 88.7 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.456 -171.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 m -92.75 94.08 8.79 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mm -118.37 112.34 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.055 -1.028 . . . . 0.0 108.383 -162.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -106.4 119.06 38.27 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.148 1.34 . . . . 0.0 111.099 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.61 100.17 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -98.47 123.85 42.85 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.774 0.797 . . . . 0.0 111.64 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -122.47 64.35 0.95 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 122.87 0.468 . . . . 0.0 110.876 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.47 83.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.08 -52.3 4.6 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 -168.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.02 94.16 1.85 Allowed 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.753 0.821 . . . . 0.0 112.117 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.283 22.1 pt-20 -110.88 123.38 50.01 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.261 1.029 . . . . 0.0 113.41 176.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.73 122.51 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.29 152.6 47.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -162.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 pt -122.69 148.29 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.566 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -147.75 102.75 3.45 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 pt -158.47 112.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 121.218 -0.926 . . . . 0.0 110.678 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.266 38.8 ptt180 -77.14 129.3 35.81 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.17 91.44 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.773 0.829 . . . . 0.0 110.75 -162.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.1 p -72.65 91.82 1.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.705 -1.247 . . . . 0.0 112.765 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -144.7 147.63 33.24 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.817 -154.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -88.75 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 O-C-N 121.846 -0.533 . . . . 0.0 112.285 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -93.77 52.01 1.63 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.77 -53.43 0.93 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.539 1.136 . . . . 0.0 110.505 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.68 -32.86 31.48 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 155.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -40.96 -50.05 3.27 Favored 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 156.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -43.35 68.16 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.15 96.92 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.76 -36.07 75.89 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 166.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -62.12 -38.21 88.04 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 165.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.52 -38.4 77.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 163.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.1 mt -56.23 -46.24 79.61 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 122.291 2.314 . . . . 0.0 114.77 165.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 24.0 tt0 -47.32 -56.61 6.5 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 164.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.53 -43.61 89.46 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.43 59.53 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 168.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -52.97 -48.19 67.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 165.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.64 -51.89 20.84 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -51.7 -44.8 63.29 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.87 -26.88 21.39 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.38 1.35 Allowed Glycine 0 N--CA 1.489 2.191 0 CA-C-N 119.796 1.18 . . . . 0.0 115.353 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.24 114.2 21.65 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.19 -52.17 17.8 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 172.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -142.81 127.99 18.66 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 119.674 1.124 . . . . 0.0 110.971 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.3 t -130.51 129.62 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -165.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.24 102.1 11.81 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -95.01 107.72 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -116.81 108.07 15.4 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 118.866 0.757 . . . . 0.0 110.268 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.9 mm -101.7 110.73 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.635 ' HG ' ' N ' ' A' ' -1' ' ' HIS . 29.5 t -79.94 93.34 5.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.697 -0.627 . . . . 0.0 111.04 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.56 160.17 14.54 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -168.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.17 -42.41 59.93 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -141.52 160.82 39.35 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.976 0.91 . . . . 0.0 111.119 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.74 -47.5 76.83 Favored 'General case' 0 CA--C 1.577 2.004 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.57 -46.24 84.21 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.79 -49.1 77.75 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 166.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.55 80.67 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HZ2' ' CD ' ' A' ' 60' ' ' GLU . 1.6 tmpt? -53.33 -53.88 44.58 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 167.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' CD ' ' HZ2' ' A' ' 59' ' ' LYS . 58.4 mm-40 -65.15 -42.6 93.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.24 -49.63 73.61 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 165.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 tt -48.81 -58.85 4.16 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.06 -46.74 82.22 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 172.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.39 -47.57 66.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 168.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 mt -61.79 -48.83 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 119.642 1.11 . . . . 0.0 112.896 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.4 71.54 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -55.01 -47.95 73.99 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 164.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.46 -50.49 73.37 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.0 mt -69.76 -33.68 72.75 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -59.39 -41.88 90.41 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 158.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' A' ' 35' ' ' GLU . 79.2 tttt -55.7 -46.98 77.57 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.18 -46.57 80.26 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 50.88 0.24 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -107.99 100.09 9.47 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.39 -32.71 58.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -96.56 107.1 19.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.948 1.249 . . . . 0.0 109.127 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.05 108.28 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -166.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -86.05 102.94 14.27 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 121.061 -1.024 . . . . 0.0 110.161 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.15 105.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 123.818 0.847 . . . . 0.0 109.211 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -131.1 108.44 9.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.231 -0.918 . . . . 0.0 110.1 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.99 113.83 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 120.966 -1.084 . . . . 0.0 109.95 157.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -95.91 84.77 3.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.077 -1.014 . . . . 0.0 109.479 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.49 -95.5 0.88 Allowed Glycine 0 N--CA 1.49 2.285 0 O-C-N 121.756 -0.59 . . . . 0.0 112.712 -167.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.8 p -114.89 0.51 13.77 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 164.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.11 104.78 7.8 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 121.316 1.871 . . . . 0.0 109.947 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.64 90.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.748 -1.22 . . . . 0.0 108.858 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.17 96.99 7.57 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.348 0.659 . . . . 0.0 110.27 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mm -107.44 112.74 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -115.1 110.12 19.06 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.629 0.771 . . . . 0.0 109.934 -171.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.69 150.85 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 133.66 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 172.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 175.635 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.7 tpt -78.01 146.53 35.31 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -172.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.73 -54.64 3.97 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.5 102.88 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -110.49 114.85 28.59 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 170.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mp -105.92 106.25 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 119.289 0.95 . . . . 0.0 108.922 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -97.82 113.74 25.61 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.349 1.06 . . . . 0.0 109.463 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mm -116.91 100.0 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -99.47 95.74 7.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.764 -0.585 . . . . 0.0 111.185 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.74 99.07 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -103.76 87.54 2.84 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.896 0.878 . . . . 0.0 109.111 -170.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -88.22 75.63 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -171.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.6 OUTLIER 57.9 65.02 1.39 Allowed 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.28 34.74 50.4 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 118.731 2.252 . . . . 0.0 118.731 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -154.24 106.74 2.81 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.461 1.63 . . . . 0.0 110.084 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.81 107.33 19.13 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.439 1.096 . . . . 0.0 113.475 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -92.94 96.51 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -102.11 109.15 20.79 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -100.18 89.83 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.76 102.99 12.17 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.763 0.825 . . . . 0.0 109.565 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 pt -131.23 144.64 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 122.109 0.957 . . . . 0.0 112.76 -163.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.69 111.76 22.35 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.077 0.951 . . . . 0.0 109.464 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.68 83.43 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.381 -0.824 . . . . 0.0 110.663 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 t -83.98 72.87 10.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.467 -1.396 . . . . 0.0 114.249 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -166.1 120.82 1.18 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -165.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 33.88 0.98 Allowed Glycine 0 N--CA 1.497 2.734 0 N-CA-C 121.394 3.318 . . . . 0.0 121.394 -169.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -142.0 -37.59 0.4 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.441 1.097 . . . . 0.0 112.775 164.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.94 -30.51 70.66 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -56.71 -42.44 79.14 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 160.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.09 -49.12 75.71 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -54.52 -47.18 73.42 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 170.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.4 -51.41 69.5 Favored 'General case' 0 CA--C 1.566 1.575 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 164.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tt -49.83 -43.54 48.89 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.33 -31.29 72.41 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -81.72 -40.64 22.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.52 -42.12 67.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.264 1.1 pt-20 -54.69 -41.88 70.75 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 164.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -63.21 -45.07 93.37 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 170.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.11 95.54 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 166.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.5 -53.45 56.23 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 165.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.3 77.49 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.74 72.45 5.26 Favored 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.472 1.487 . . . . 0.0 112.506 173.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 51.76 54.86 10.22 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.7 73.34 2.68 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 116.316 1.287 . . . . 0.0 116.316 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.59 157.06 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 119.744 3.238 . . . . 0.0 119.744 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -81.71 -11.6 58.98 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 158.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -136.23 125.13 24.12 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.67 1.577 . . . . 0.0 108.714 168.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -128.25 115.0 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -94.62 102.57 14.48 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.016 0.526 . . . . 0.0 110.746 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.55 105.22 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -116.74 107.15 14.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.489 -0.757 . . . . 0.0 109.431 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 17.1 tt -110.97 118.41 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 110.533 177.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -84.86 114.76 22.34 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 111.463 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.14 163.52 24.04 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -51.53 11.3 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 163.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -105.4 156.31 18.3 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.535 1.16 . . . . 0.0 112.879 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -55.34 -50.57 69.28 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.417 2.376 . . . . 0.0 117.417 172.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.9 -27.28 65.64 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.3 -37.52 85.87 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.01 1.732 . . . . 0.0 115.162 159.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.1 82.37 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 162.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -58.56 -49.42 77.48 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 163.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -54.63 -44.71 73.4 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 170.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.25 -35.29 79.83 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.56 -54.21 44.21 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.613 1.552 . . . . 0.0 115.022 159.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -53.06 -47.35 68.53 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.38 -53.64 54.05 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.75 -47.36 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-N 119.838 1.199 . . . . 0.0 113.352 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.21 -46.05 65.49 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.52 -46.84 76.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.58 -52.84 63.96 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.29 -41.49 97.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -57.63 -50.08 74.35 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 163.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.41 -43.64 79.54 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.6 -33.45 75.96 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -97.48 109.96 22.61 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.941 1.371 . . . . 0.0 109.807 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -85.05 -43.69 13.69 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -164.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -81.48 118.04 22.4 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 119.798 1.181 . . . . 0.0 109.715 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.1 mt -128.81 104.59 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -171.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -97.86 103.27 15.19 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.226 1.01 . . . . 0.0 110.93 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.0 t -97.63 123.16 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 123.391 0.676 . . . . 0.0 110.971 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -130.84 98.02 4.5 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.09 163.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.35 104.11 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -90.52 60.13 4.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.167 -0.958 . . . . 0.0 112.698 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.22 -76.98 0.59 Allowed Glycine 0 N--CA 1.493 2.468 0 O-C-N 121.008 -1.058 . . . . 0.0 114.948 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 p -95.23 -40.37 9.6 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.43 107.14 13.95 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.497 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -88.83 85.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -91.27 94.73 9.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.507 0.723 . . . . 0.0 109.627 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 69.9 mt -108.99 105.5 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -99.52 120.52 39.78 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.749 0.82 . . . . 0.0 110.437 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.0 m -106.78 134.81 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.629 -0.67 . . . . 0.0 112.607 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.92 150.41 38.54 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 121.733 0.778 . . . . 0.0 112.199 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 173.096 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 35.1 m170 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 119.136 -0.459 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt -94.02 122.28 36.37 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 119.498 1.044 . . . . 0.0 110.442 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -71.32 159.43 34.59 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -57.46 96.07 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.702 1.201 . . . . 0.0 114.047 -164.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.22 115.54 30.36 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mm -85.5 103.37 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.1 m -102.4 100.45 10.59 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.75 95.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -87.45 98.74 11.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.679 -0.638 . . . . 0.0 109.321 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.5 92.0 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.14 111.97 21.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.971 0.891 . . . . 0.0 110.833 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -88.55 -178.37 5.82 Favored 'General case' 0 CA--C 1.576 1.963 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.56 150.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.78 97.82 1.85 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 119.623 -1.923 . . . . 0.0 113.143 -166.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.81 41.65 97.43 Favored Glycine 0 CA--C 1.553 2.441 0 N-CA-C 117.847 1.899 . . . . 0.0 117.847 -162.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.8 94.97 1.6 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 118.822 1.311 . . . . 0.0 111.265 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -100.05 101.35 12.4 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.552 0.741 . . . . 0.0 111.257 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.14 103.33 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -109.93 127.65 54.88 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -169.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -129.9 124.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.77 120.36 41.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 123.399 0.68 . . . . 0.0 111.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mm -124.68 110.97 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.469 -0.769 . . . . 0.0 109.755 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -85.24 117.12 23.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.907 -1.12 . . . . 0.0 112.53 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.35 68.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-O 121.618 0.723 . . . . 0.0 112.175 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.0 t -109.85 85.54 2.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.696 -1.252 . . . . 0.0 109.997 169.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.348 1.8 t -152.37 -97.17 0.05 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.462 -166.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.56 -117.88 0.89 Allowed Glycine 0 N--CA 1.491 2.361 0 CA-C-N 121.606 2.003 . . . . 0.0 114.376 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -81.0 70.86 7.92 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 122.265 1.031 . . . . 0.0 111.573 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -149.65 -54.71 0.17 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 124.383 1.073 . . . . 0.0 110.388 -159.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -52.95 -32.91 48.5 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 164.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.05 -50.58 70.56 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 164.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -62.77 -43.36 99.02 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 171.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.32 -52.09 66.76 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 166.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.07 -44.23 67.35 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -58.88 -52.24 66.59 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -62.96 -36.03 82.11 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.34 -41.27 80.96 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 171.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.79 -55.75 10.63 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 120.133 1.333 . . . . 0.0 114.536 161.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -53.39 -37.79 62.79 Favored 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 167.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.53 88.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.16 -43.84 82.92 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 167.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.45 96.39 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 167.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -60.84 -42.23 97.37 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 166.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.56 66.56 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.0 75.56 0.85 Allowed Glycine 0 N--CA 1.492 2.406 0 CA-C-N 119.83 1.196 . . . . 0.0 114.319 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.43 137.56 32.6 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -167.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.16 -48.92 7.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -130.81 121.17 24.86 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 119.095 0.861 . . . . 0.0 109.429 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.27 106.05 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -91.55 90.24 7.53 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.346 0.594 . . . . 0.0 109.428 168.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -89.66 120.86 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 m -112.43 110.55 20.81 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 tt -97.72 105.71 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -81.19 85.44 6.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.0 111.72 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 149.88 26.33 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -88.95 -22.81 22.87 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 -174.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -136.54 159.98 40.17 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 120.035 1.289 . . . . 0.0 110.932 173.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -56.84 -48.98 76.81 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' CD ' ' HZ2' ' A' ' 59' ' ' LYS . 62.6 mm-40 -60.88 -47.51 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -59.45 -42.82 92.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.14 71.07 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 164.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HZ2' ' CD ' ' A' ' 56' ' ' GLU . 8.2 mtpm? -57.43 -47.44 81.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 168.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.12 -49.87 75.47 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.35 -39.84 94.68 Favored 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -46.82 -56.42 6.3 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 160.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.52 -46.8 88.83 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.46 -50.44 69.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 171.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.91 -49.76 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-N 119.463 1.029 . . . . 0.0 112.87 171.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.63 83.17 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -64.22 -43.54 94.66 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 120.97 1.714 . . . . 0.0 114.927 164.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.44 -53.41 51.77 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 171.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -29.73 61.73 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -62.0 -47.6 84.05 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.485 1.493 . . . . 0.0 114.502 161.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -52.16 -46.53 65.52 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 166.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.3 5.97 15.63 Favored 'General case' 0 CA--C 1.578 2.046 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.36 42.76 11.3 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -119.2 96.32 5.17 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.2 1.0 . . . . 0.0 108.562 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -83.73 -40.82 18.37 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 -163.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -84.73 89.1 7.43 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 120.59 1.541 . . . . 0.0 110.609 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -99.03 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -166.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -111.11 101.11 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.488 0.661 . . . . 0.0 109.933 -170.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.62 131.66 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -126.5 118.57 25.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.537 -0.727 . . . . 0.0 109.29 160.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.2 t -91.26 115.58 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -86.55 75.47 9.72 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.191 -0.943 . . . . 0.0 111.126 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.2 -84.17 0.61 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.369 -0.832 . . . . 0.0 114.239 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.5 p -105.72 -23.41 12.74 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 167.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -82.05 115.29 21.12 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 120.415 1.461 . . . . 0.0 111.33 -167.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -91.79 105.38 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 121.109 -0.994 . . . . 0.0 109.11 -169.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -93.28 93.07 8.01 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.065 0.546 . . . . 0.0 110.645 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.4 mt -91.42 113.8 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.846 0.831 . . . . 0.0 108.771 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -103.38 104.07 14.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.99 0.916 . . . . 0.0 110.018 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.5 m -103.11 114.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.398 0.618 . . . . 0.0 110.969 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -106.47 132.59 52.31 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.453 0.701 . . . . 0.0 111.059 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.42 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 119.555 -0.26 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -83.57 130.63 35.0 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 119.026 0.83 . . . . 0.0 112.069 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.7 -72.95 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.621 -0.674 . . . . 0.0 109.47 163.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -133.06 95.7 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.03 112.16 19.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.515 -0.741 . . . . 0.0 110.299 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.0 mt -96.93 84.44 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -100.16 106.27 17.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.94 0.876 . . . . 0.0 108.93 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 mm -116.04 100.11 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -167.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -98.3 103.65 15.62 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 122.236 1.017 . . . . 0.0 110.211 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -87.51 94.86 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.31 98.55 5.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.492 1.139 . . . . 0.0 109.698 168.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.73 72.89 1.14 Allowed 'General case' 0 CA--C 1.567 1.628 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.468 -168.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.279 5.9 m-20 52.7 61.9 2.96 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.71 31.83 14.62 Favored Glycine 0 CA--C 1.553 2.435 0 N-CA-C 118.761 2.264 . . . . 0.0 118.761 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -162.39 106.85 1.17 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.686 1.743 . . . . 0.0 110.484 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.256 1.9 pm0 -84.02 118.88 24.34 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 119.596 1.089 . . . . 0.0 113.211 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.66 101.75 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -78.67 121.87 25.24 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.295 1.045 . . . . 0.0 113.581 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -112.65 100.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -103.3 77.89 1.56 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 122.919 1.342 . . . . 0.0 112.945 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 pt -99.22 81.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-O 122.159 0.981 . . . . 0.0 110.653 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 127.39 33.02 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -120.43 157.02 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 121.898 0.856 . . . . 0.0 112.841 -162.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -89.27 18.39 5.18 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 164.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.433 42.0 p 75.41 -121.4 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 125.382 1.473 . . . . 0.0 112.088 -174.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 35.82 60.26 0.83 Allowed Glycine 0 N--CA 1.502 3.08 0 N-CA-C 121.802 3.481 . . . . 0.0 121.802 173.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.324 57.5 mttm 64.62 -9.43 0.18 Allowed 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.291 3.071 . . . . 0.0 119.291 -168.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.36 -44.61 94.31 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.903 1.683 . . . . 0.0 114.26 165.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.41 -41.62 72.98 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.02 -53.84 53.48 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -52.95 -52.04 59.33 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.13 32.74 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 175.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 tp -53.6 -44.75 69.69 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.09 -49.2 73.21 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -72.63 -36.42 68.02 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.37 -43.5 88.45 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 167.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -49.87 -50.69 44.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -60.56 -52.0 67.03 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.92 99.12 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.51 -48.72 78.5 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 170.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.98 85.54 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 170.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -69.45 -42.97 74.23 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.12 -31.3 70.8 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.83 72.7 1.05 Allowed Glycine 0 N--CA 1.488 2.159 0 CA-C-N 119.729 1.15 . . . . 0.0 114.427 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.43 120.56 35.89 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -58.07 3.5 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.02 114.8 29.22 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.27 96.43 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.51 90.17 8.14 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 123.381 0.673 . . . . 0.0 110.486 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.3 mt -91.71 105.79 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -112.89 107.63 16.28 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.0 105.27 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -92.28 101.69 14.18 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.728 0.775 . . . . 0.0 111.646 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.17 160.88 13.95 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -170.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -61.86 -50.88 70.49 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -130.5 161.63 31.03 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 123.152 1.453 . . . . 0.0 110.66 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -58.13 -38.78 77.19 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 170.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -54.66 -50.07 69.08 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 166.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -55.86 -52.07 65.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 165.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.72 -41.08 66.65 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.543 2.424 . . . . 0.0 117.543 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.29 -55.64 32.25 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.37 -41.6 89.69 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.53 -48.76 79.58 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.9 tp -44.7 -53.22 7.52 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 162.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.21 -46.41 89.04 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -56.19 -48.87 75.52 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -61.65 -52.31 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 CA-C-N 119.538 1.063 . . . . 0.0 112.891 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.23 -46.17 69.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 171.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.2 -45.44 87.58 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 166.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -56.61 -52.05 66.35 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 169.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.81 -33.77 62.27 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -56.29 -45.81 80.05 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 157.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.42 -46.77 88.73 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.06 -45.37 95.05 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.99 56.73 0.25 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 115.828 1.091 . . . . 0.0 115.828 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -112.38 148.26 34.67 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.566 0.698 . . . . 0.0 111.357 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.02 -46.33 2.53 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.32 84.43 7.63 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 120.584 1.538 . . . . 0.0 110.065 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.8 mt -100.73 105.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -167.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.54 91.64 3.73 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.704 0.764 . . . . 0.0 109.645 -170.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.97 123.87 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.626 0 C-N-CA 123.714 0.806 . . . . 0.0 112.16 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -140.0 91.27 2.45 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.66 120.69 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 112.021 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.34 70.75 5.19 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.304 -0.873 . . . . 0.0 110.635 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.47 -81.75 0.6 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.794 -1.192 . . . . 0.0 114.401 -168.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.8 p -112.72 -2.99 14.33 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.15 97.08 10.13 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.41 1.459 . . . . 0.0 110.502 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.3 84.87 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.57 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -81.83 104.63 12.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.868 -0.52 . . . . 0.0 110.131 170.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.99 103.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 165.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -93.82 109.78 21.45 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 122.772 0.429 . . . . 0.0 110.116 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.8 m -104.94 131.09 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.485 0.66 . . . . 0.0 111.272 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -111.19 140.16 45.98 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 122.848 1.308 . . . . 0.0 108.975 174.041 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 49.5 m80 . . . . . 0 CA--C 1.56 1.343 0 CA-C-O 122.228 1.013 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 32.5 ttm -85.31 124.08 31.51 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 123.887 0.875 . . . . 0.0 110.998 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.29 86.0 mttt -81.96 -78.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -163.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 t -130.76 70.3 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.688 1.131 . . . . 0.0 108.482 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 99.49 10.12 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.6 pt -94.49 102.05 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 124.053 0.941 . . . . 0.0 109.777 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -85.08 98.83 10.66 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.807 0.843 . . . . 0.0 109.301 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -109.74 97.52 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HZ2' ' CD ' ' A' ' 16' ' ' GLU . 38.9 mttt -107.54 110.97 23.02 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.697 0.761 . . . . 0.0 109.349 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.22 102.67 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -168.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -80.98 105.27 12.08 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.579 -0.7 . . . . 0.0 112.448 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -93.64 71.35 4.24 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.8 OUTLIER 50.22 88.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.618 1.567 . . . . 0.0 114.798 -168.462 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 -44.96 3.14 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 -167.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -81.44 92.65 6.49 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.052 0.941 . . . . 0.0 112.634 -169.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -68.9 94.34 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 123.423 0.689 . . . . 0.0 111.514 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 mm -88.08 105.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 12.5 pt-20 -101.23 112.45 24.94 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -164.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.31 89.24 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.621 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 97.59 7.41 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.347 0.659 . . . . 0.0 109.415 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 pt -138.66 148.84 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.7 0.762 . . . . 0.0 112.413 -163.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.12 103.13 15.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 0.0 110.845 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.13 54.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 CA-C-O 121.536 0.684 . . . . 0.0 112.442 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.0 p -90.53 76.55 6.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.377 -1.452 . . . . 0.0 112.039 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.1 114.78 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -166.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.65 139.98 39.99 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 116.396 1.318 . . . . 0.0 116.396 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.327 0.0 OUTLIER 70.94 -53.17 0.68 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -170.248 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -48.82 -42.72 37.03 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.269 1.4 pt? -56.27 -34.59 66.58 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 172.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -63.94 -44.52 92.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -55.41 -45.01 76.71 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.09 79.07 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 165.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.8 tp -49.63 -45.02 47.84 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.83 -48.59 79.86 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 172.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.06 -41.68 98.39 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 167.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.6 mt -62.1 -45.08 95.09 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -49.36 70.87 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 166.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -59.72 -43.27 94.23 Favored 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 169.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.65 71.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.29 -36.92 76.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 161.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -42.33 69.81 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 163.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -73.13 65.82 0.82 Allowed 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 120.929 1.695 . . . . 0.0 112.98 167.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.76 -63.65 0.09 Allowed 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.32 76.62 0.65 Allowed Glycine 0 N--CA 1.492 2.423 0 CA-C-N 119.247 0.93 . . . . 0.0 113.601 -164.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.29 143.05 45.85 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -165.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -102.79 -56.08 2.31 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.41 171.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.53 113.69 27.03 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 120.574 1.534 . . . . 0.0 110.167 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.26 98.94 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.01 109.94 18.86 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.394 0.616 . . . . 0.0 112.512 -171.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -106.43 109.61 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -106.84 110.37 22.52 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 118.304 0.502 . . . . 0.0 110.176 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.0 112.92 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.574 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -91.89 120.68 32.8 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.114 0.565 . . . . 0.0 112.013 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.63 171.84 7.91 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.91 -46.36 36.41 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.569 -1.332 . . . . 0.0 114.235 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -125.33 173.08 9.08 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 124.663 1.185 . . . . 0.0 110.079 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.03 -47.65 84.45 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 170.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.72 -39.7 85.53 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -54.66 -51.43 65.49 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 166.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.91 90.49 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 169.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -61.46 -41.61 97.49 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.9 -45.21 78.68 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 167.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.8 -34.94 78.33 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.97 -51.36 30.9 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 160.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.74 -54.14 50.44 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 119.206 0.912 . . . . 0.0 113.339 168.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.37 -49.77 71.44 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 mt -66.16 -50.2 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 CA-C-N 119.869 1.213 . . . . 0.0 112.274 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.53 76.01 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -49.22 -43.83 42.9 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 164.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.36 -52.03 66.36 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 167.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.88 -38.32 79.59 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -38.12 88.37 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 164.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -57.32 -40.88 78.85 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.45 -52.91 63.19 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 120.15 1.341 . . . . 0.0 114.546 161.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.59 0.55 Allowed Glycine 0 N--CA 1.486 1.981 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.3 131.53 35.23 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.697 1.249 . . . . 0.0 111.281 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -90.67 -42.56 10.67 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.22 125.11 29.03 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 119.556 1.071 . . . . 0.0 110.216 166.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.0 mt -135.04 94.73 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.78 117.9 35.82 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.597 0.759 . . . . 0.0 110.405 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.46 112.3 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.277 -0.89 . . . . 0.0 108.771 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -111.93 114.29 27.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.64 -0.662 . . . . 0.0 109.72 171.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 t -100.36 104.51 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -90.9 78.21 6.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.236 -0.915 . . . . 0.0 110.668 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.83 -94.04 0.96 Allowed Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.481 -0.762 . . . . 0.0 113.937 -172.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . 0.262 8.9 t -125.75 49.6 1.93 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 122.738 1.256 . . . . 0.0 112.415 163.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.66 101.47 6.41 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.48 101.43 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -86.39 108.1 18.32 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 165.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.0 mt -98.33 103.15 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.698 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 165.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 105.75 16.75 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.091 1.356 . . . . 0.0 109.071 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.9 142.4 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.588 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -123.85 153.91 40.39 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.574 1.178 . . . . 0.0 110.287 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.495 1.795 0 O-C-N 120.898 -1.126 . . . . 0.0 110.33 -169.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 . . . . . 0 CA--C 1.561 1.382 0 CA-C-O 121.822 0.82 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.1 ttm -77.51 111.35 13.14 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 123.595 0.758 . . . . 0.0 110.552 172.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tpmp? -147.86 139.12 23.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -168.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -77.19 90.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 164.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.09 114.09 15.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -166.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.256 45.2 pt -115.24 100.66 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 CA-C-O 121.622 0.725 . . . . 0.0 109.127 -162.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -104.72 93.63 4.85 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.26 99.56 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.306 13.6 ptmm? -105.77 114.05 27.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 122.815 1.293 . . . . 0.0 111.472 -171.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -107.0 104.48 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -158.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -102.12 134.02 46.04 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-O 122.568 1.175 . . . . 0.0 111.821 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -104.32 49.86 0.81 Allowed 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.67 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.296 16.2 m-20 42.55 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -163.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.91 -74.09 0.34 Allowed Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.935 -0.478 . . . . 0.0 113.404 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.84 122.5 26.16 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 117.442 0.621 . . . . 0.0 111.82 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -125.33 107.95 11.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.83 0.852 . . . . 0.0 110.358 -159.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.49 103.65 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.223 -0.923 . . . . 0.0 109.078 -166.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.42 114.23 21.75 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -106.79 101.37 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.14 95.51 5.83 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 121.565 0.698 . . . . 0.0 112.236 -164.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -121.56 148.33 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 C-N-CA 124.385 1.074 . . . . 0.0 109.811 -166.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 139.96 48.57 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 119.5 -2.0 . . . . 0.0 111.039 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.88 76.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-O 121.687 0.756 . . . . 0.0 110.278 -166.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -82.64 41.41 0.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -176.78 152.09 0.94 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.904 -1.123 . . . . 0.0 111.232 -152.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 138.27 35.56 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.092 1.197 . . . . 0.0 116.092 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.476 57.4 mttm 72.59 -20.35 0.27 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 119.93 3.307 . . . . 0.0 119.93 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' CD ' HH22 ' A' ' 29' ' ' ARG . 75.1 mm-40 -63.55 -48.12 78.8 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.109 1.777 . . . . 0.0 113.495 154.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.28 -46.08 69.16 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 168.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -54.63 44.28 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.4 HH22 ' CD ' ' A' ' 26' ' ' GLU . 17.1 mtm105 -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.67 72.59 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -53.87 -46.75 71.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.22 -50.82 72.2 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.42 -36.08 73.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.14 -43.09 95.98 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 121.229 1.832 . . . . 0.0 115.174 168.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 31.5 tt0 -50.42 -53.37 29.99 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 162.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -49.81 74.75 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 170.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.99 99.57 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.8 -46.91 87.48 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.57 78.5 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 167.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.71 -47.32 86.8 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 168.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.01 -43.35 62.22 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.53 72.05 1.06 Allowed Glycine 0 N--CA 1.49 2.265 0 CA-C-N 120.123 1.329 . . . . 0.0 115.337 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.34 143.67 33.19 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -96.27 -19.42 19.29 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -169.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -136.78 109.1 7.3 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.833 2.106 . . . . 0.0 110.021 161.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -111.85 111.55 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.385 -0.822 . . . . 0.0 108.945 -165.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -101.18 98.36 8.78 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.311 0.645 . . . . 0.0 110.589 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -89.94 110.29 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -98.06 126.85 43.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.45 111.28 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 170.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 t -73.53 123.69 24.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.945 162.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.13 25.37 Favored 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.98 -20.05 56.55 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 172.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -140.44 167.89 21.08 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 119.979 1.263 . . . . 0.0 110.572 165.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -63.3 -40.59 97.76 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 168.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.14 -40.92 82.53 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 164.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -56.84 -47.2 80.88 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 162.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -39.29 65.04 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -57.68 -54.1 50.72 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 166.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.99 -41.54 90.94 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.54 -40.46 94.74 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.67 -50.23 55.25 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 162.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.14 -43.28 99.17 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 mt -55.21 -37.76 67.55 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.786 2.084 . . . . 0.0 116.088 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.86 -58.97 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 CA-C-N 119.928 1.24 . . . . 0.0 111.614 165.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.15 71.04 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 169.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.97 -52.46 60.6 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 121.572 1.987 . . . . 0.0 114.985 160.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.94 -44.79 94.14 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -62.05 -42.92 99.69 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 165.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -57.77 -48.2 80.35 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 169.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.96 -37.51 85.0 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.55 43.95 3.82 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -76.12 143.16 41.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.388 1.094 . . . . 0.0 111.914 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -56.37 3.08 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.18 85.62 3.25 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 121.347 0.594 . . . . 0.0 109.702 -163.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.02 111.18 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -164.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -112.21 119.55 38.73 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 123.917 0.887 . . . . 0.0 110.484 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.08 132.31 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -134.83 89.98 2.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.13 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.58 99.8 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.2 73.48 2.19 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 121.549 0.69 . . . . 0.0 109.72 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.27 -99.35 0.63 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.6 p -92.82 -19.96 21.2 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.68 105.22 6.6 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 120.032 1.287 . . . . 0.0 110.952 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.69 97.56 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -114.49 105.23 12.85 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.044 0.538 . . . . 0.0 110.234 -171.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -112.51 112.14 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -91.8 123.9 35.53 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.22 0.608 . . . . 0.0 110.127 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.21 124.2 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.606 -0.684 . . . . 0.0 112.208 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -95.26 147.48 23.43 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.36 1.076 . . . . 0.0 113.076 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.625 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 CA--C 1.559 1.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.4 mtt -72.72 120.07 17.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.717 -0.614 . . . . 0.0 111.303 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -67.99 0.6 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.935 0.894 . . . . 0.0 111.958 -170.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.5 t -122.78 73.87 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.26 98.84 10.05 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.525 0.679 . . . . 0.0 110.214 -166.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -83.19 103.75 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -101.09 103.79 14.89 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.92 127.91 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 14.3 ptpt -125.81 131.53 52.43 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.286 1.041 . . . . 0.0 113.706 160.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.0 mt -110.62 89.55 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -163.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.283 0.1 OUTLIER -87.74 121.1 29.75 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.522 1.056 . . . . 0.0 110.958 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -120.01 -134.63 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.237 1.015 . . . . 0.0 110.782 -169.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.77 90.62 1.87 Allowed 'General case' 0 CA--C 1.572 1.802 0 O-C-N 120.959 -1.088 . . . . 0.0 111.071 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.87 27.09 63.88 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 120.515 2.966 . . . . 0.0 120.515 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -163.5 132.99 4.09 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 119.299 1.55 . . . . 0.0 110.065 -161.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.05 132.34 54.45 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.75 112.67 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.24 128.73 53.57 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.8 mm -136.83 112.82 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' CG ' HH22 ' A' ' 20' ' ' ARG . 0.8 OUTLIER -105.85 126.33 52.05 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.356 0.98 . . . . 0.0 111.068 164.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.91 116.44 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.341 -0.849 . . . . 0.0 109.657 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.428 HH22 ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -96.43 103.56 15.47 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.341 0.656 . . . . 0.0 112.444 -176.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.2 m -116.43 78.56 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.558 0.694 . . . . 0.0 110.058 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -71.06 86.76 0.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -153.13 141.41 20.57 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.178 -154.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.28 -61.82 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.61 3.77 10.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.261 24.4 mm-40 -84.61 -17.75 37.71 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.541 1.973 . . . . 0.0 116.128 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.92 -30.09 32.31 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 158.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.06 -49.16 3.38 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 164.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.21 -49.46 64.48 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.91 81.14 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 167.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.78 -42.33 79.23 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -68.07 -38.65 82.65 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 167.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -58.43 -43.59 88.78 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 120.741 1.61 . . . . 0.0 115.296 165.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.04 -42.33 98.28 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 165.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 0.9 OUTLIER -57.14 -54.03 51.41 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 168.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -43.35 -53.11 5.5 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 163.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.59 81.05 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.37 -50.88 72.06 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.05 -42.82 86.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -68.54 -34.52 75.99 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 169.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.53 -51.95 20.81 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.69 76.51 0.73 Allowed Glycine 0 N--CA 1.493 2.47 0 CA-C-N 119.831 1.196 . . . . 0.0 115.424 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.3 155.34 24.23 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -167.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtp-105 -75.83 -72.49 0.31 Allowed 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -118.83 98.41 6.19 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.43 111.07 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 -169.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -83.3 98.35 9.38 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.758 0.423 . . . . 0.0 110.252 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.1 mt -91.76 110.61 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 167.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.5 m -116.24 144.52 44.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.69 0.796 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.13 118.06 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.351 -0.843 . . . . 0.0 108.92 162.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.3 t -81.57 94.77 6.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.936 -0.477 . . . . 0.0 110.759 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.43 165.24 15.05 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.52 -44.36 74.8 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -133.21 160.76 36.31 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.123 0.963 . . . . 0.0 111.536 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -58.83 -43.48 90.68 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 169.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.36 -41.42 93.64 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.14 -49.72 75.04 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -29.83 40.85 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 168.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -59.49 4.44 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.017 1.735 . . . . 0.0 113.705 171.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -68.71 -27.31 65.83 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 171.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.57 -39.03 91.19 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-N 121.613 2.006 . . . . 0.0 115.397 163.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.12 -58.21 6.04 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 162.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.71 -44.37 96.67 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 170.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.48 -45.96 66.35 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 122.463 2.392 . . . . 0.0 115.964 170.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.73 -53.86 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.077 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.736 168.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.11 -45.72 68.39 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-N 122.129 2.24 . . . . 0.0 117.045 174.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -51.44 -46.62 63.05 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 166.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.64 -55.0 40.49 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.4 mt -56.84 -41.16 77.38 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.425 ' HZ2' ' CD ' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -62.66 -40.5 97.24 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 168.424 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.62 -41.94 77.96 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 165.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.98 39.46 3.55 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 116.959 1.543 . . . . 0.0 116.959 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.17 146.19 23.85 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.744 0.783 . . . . 0.0 111.607 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.98 -51.12 3.1 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -86.92 93.46 9.33 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 120.263 1.392 . . . . 0.0 108.588 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -88.81 87.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -94.37 87.97 5.37 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 122.046 0.926 . . . . 0.0 110.74 -163.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.13 121.86 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 123.531 0.732 . . . . 0.0 111.467 -164.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -128.46 99.42 5.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 63.0 t -91.41 103.46 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.125 -0.984 . . . . 0.0 108.796 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -99.39 82.62 2.7 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.701 0.762 . . . . 0.0 109.959 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.32 -104.64 1.47 Allowed Glycine 0 N--CA 1.49 2.266 0 O-C-N 121.645 -0.659 . . . . 0.0 113.84 -171.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 p -104.18 -0.95 27.88 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.27 114.55 6.07 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.246 1.839 . . . . 0.0 111.267 162.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -93.84 75.08 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -91.12 96.99 10.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.857 -1.152 . . . . 0.0 111.192 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.8 mt -106.71 106.37 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -85.22 110.59 19.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 170.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.3 m -96.61 137.91 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.4 -0.813 . . . . 0.0 113.156 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -128.4 140.19 51.98 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.511 0.672 . . . . 0.0 110.598 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 120.946 -1.096 . . . . 0.0 109.237 -171.247 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.9 mmt -76.78 149.97 36.22 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 119.706 1.139 . . . . 0.0 113.153 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.55 -177.38 5.9 Favored 'General case' 0 CA--C 1.575 1.925 0 O-C-N 121.11 -0.994 . . . . 0.0 111.995 171.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.4 t -70.99 95.86 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.706 -1.246 . . . . 0.0 110.529 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.29 84.47 6.86 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.55 0.69 . . . . 0.0 109.609 170.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.85 111.58 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.9 p -110.91 114.58 28.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -172.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.44 98.26 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -90.09 101.92 14.63 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 121.844 -0.535 . . . . 0.0 109.565 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.62 107.67 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -98.7 118.51 35.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.423 -0.798 . . . . 0.0 111.308 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 82.32 1.75 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 25.92 64.19 0.07 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.84 -54.16 0.73 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -163.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -80.25 101.3 8.8 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 118.275 1.038 . . . . 0.0 111.943 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 104.37 16.07 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.378 0.671 . . . . 0.0 110.775 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mm -101.06 99.38 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -174.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -89.9 116.28 27.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.069 0.548 . . . . 0.0 112.001 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.52 110.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.63 147.55 27.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.044 -1.035 . . . . 0.0 112.084 160.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 43.4 pt -126.13 97.8 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 148.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -79.6 95.8 5.98 Favored 'General case' 0 CA--C 1.569 1.7 0 CA-C-O 121.847 0.832 . . . . 0.0 112.829 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -116.96 128.46 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.529 -0.732 . . . . 0.0 110.487 -158.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -113.52 72.76 0.79 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.285 -0.885 . . . . 0.0 112.743 171.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.3 p -155.23 147.61 23.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.906 -0.496 . . . . 0.0 111.463 -165.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.66 -97.33 0.09 OUTLIER Glycine 0 N--CA 1.492 2.389 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -76.38 -10.63 59.55 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.2 -35.75 79.82 Favored 'General case' 0 CA--C 1.575 1.916 0 O-C-N 120.406 -1.434 . . . . 0.0 114.825 160.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.74 -43.79 98.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.84 -52.13 51.6 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 164.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -64.14 -41.56 97.14 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 173.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.66 97.36 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.14 -42.79 91.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 166.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.29 -44.34 75.6 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 165.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.82 -40.36 88.01 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 167.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.93 -43.18 81.21 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -55.28 20.97 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 164.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -50.09 62.48 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 168.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.01 87.9 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 172.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.08 92.72 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -65.15 -39.04 92.42 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.89 6.49 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 64.65 2.63 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.87 149.87 22.47 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.42 -55.63 16.97 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -113.16 126.53 55.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.72 114.85 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -112.47 94.39 4.9 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-O 122.126 0.965 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.16 127.22 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 123.881 0.873 . . . . 0.0 108.682 -167.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.4 m -127.18 117.76 22.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 119.452 1.024 . . . . 0.0 109.456 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.17 113.52 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.298 0.639 . . . . 0.0 110.297 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.2 t -76.28 95.34 3.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.567 166.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.6 151.53 23.37 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -70.98 -43.5 67.92 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -126.93 156.05 42.12 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.086 0.954 . . . . 0.0 111.214 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.58 -43.01 89.32 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.62 -40.0 93.27 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 167.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -60.82 -43.82 97.71 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 166.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.78 69.75 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 165.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.44 -54.88 34.91 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.56 -49.12 73.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.89 -39.26 91.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -52.98 -55.44 23.53 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 165.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.19 -44.39 95.12 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 170.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.6 tp -66.28 -46.61 76.41 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.4 -44.93 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-N 120.193 1.361 . . . . 0.0 112.013 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.48 74.39 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 169.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -55.63 -43.52 76.26 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 167.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.53 -52.9 63.01 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 167.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.03 -34.93 78.78 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.01 -47.95 81.5 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 159.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -45.71 84.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.68 -43.86 80.86 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 165.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.74 39.64 2.15 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -92.75 121.3 34.01 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.474 1.137 . . . . 0.0 110.458 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.55 -48.59 10.83 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.411 ' CG ' ' HE ' ' A' ' 91' ' ' ARG . 9.7 m-20 -89.99 107.66 19.25 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 119.827 1.194 . . . . 0.0 109.218 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mt -116.26 95.95 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -169.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.51 109.0 20.28 Favored 'General case' 0 CA--C 1.566 1.595 0 O-C-N 121.371 -0.831 . . . . 0.0 110.706 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.45 113.25 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.456 -0.778 . . . . 0.0 109.219 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -123.73 76.25 1.41 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.423 0.689 . . . . 0.0 110.712 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.35 126.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.531 -1.356 . . . . 0.0 110.762 -168.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -106.42 84.94 2.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.41 0.624 . . . . 0.0 110.137 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.39 -101.95 1.04 Allowed Glycine 0 N--CA 1.492 2.428 0 O-C-N 121.362 -0.836 . . . . 0.0 114.965 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -97.56 -6.83 32.64 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.33 95.72 4.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.652 1.569 . . . . 0.0 110.192 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.42 103.65 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -98.71 122.38 41.87 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.434 169.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.3 mt -108.31 110.72 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 163.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -102.28 95.38 6.26 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.901 1.28 . . . . 0.0 109.079 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -96.75 141.16 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.264 -0.898 . . . . 0.0 112.826 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' HE ' ' CG ' ' A' ' 76' ' ' ASP . 0.4 OUTLIER -130.82 143.71 50.93 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.096 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 123.481 1.61 . . . . 0.0 108.433 172.38 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 61.8 mtt -102.16 158.29 16.28 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.896 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.413 ' HZ3' ' CD ' ' A' ' 53' ' ' GLU . 10.0 mmtm -124.14 -166.35 1.48 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.218 -0.926 . . . . 0.0 111.104 174.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -75.97 116.17 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.2 -1.563 . . . . 0.0 110.906 -167.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.79 114.18 26.66 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.66 0.784 . . . . 0.0 110.444 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mm -98.03 103.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 164.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -106.14 105.1 14.97 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 119.635 1.107 . . . . 0.0 109.41 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.61 108.87 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -170.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -92.84 104.09 16.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.649 -0.657 . . . . 0.0 109.893 170.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.86 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -95.91 86.71 4.41 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.299 1.047 . . . . 0.0 109.96 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -73.44 -47.83 38.46 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -177.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.48 -132.54 0.21 Allowed 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 157.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 42.42 1.16 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 118.052 1.981 . . . . 0.0 118.052 173.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -146.95 102.67 3.55 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.95 119.58 33.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -101.41 107.82 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.48 121.63 27.01 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 122.106 0.955 . . . . 0.0 113.181 173.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -117.37 106.36 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.265 25.7 p-10 -106.41 93.21 4.48 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 122.731 1.253 . . . . 0.0 113.061 -176.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.6 mt -93.39 109.36 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 C-N-CA 124.219 1.008 . . . . 0.0 108.473 -170.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -106.45 127.36 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.808 -0.558 . . . . 0.0 110.701 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.354 60.4 t 88.11 100.0 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 124.766 1.227 . . . . 0.0 108.168 -162.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 m -157.05 88.49 1.03 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.27 7.5 t -106.63 -64.5 1.17 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -166.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.86 -87.28 0.33 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.784 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -59.66 -43.09 94.07 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.46 -32.53 74.0 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 167.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.88 -45.61 89.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 161.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.06 -45.78 82.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 167.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -53.41 -54.36 37.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 169.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -57.27 13.77 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.67 -42.8 89.3 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.13 -41.16 64.28 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -58.99 -44.28 91.6 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.163 1.801 . . . . 0.0 114.818 168.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.15 -51.76 68.01 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 167.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -42.39 98.62 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 173.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -58.29 -49.62 76.49 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.383 1.624 . . . . 0.0 115.383 167.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.97 97.59 Favored 'General case' 0 CA--C 1.569 1.677 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.45 65.61 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.619 1.099 . . . . 0.0 113.958 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.54 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -80.98 50.13 1.34 Allowed 'General case' 0 CA--C 1.58 2.127 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.41 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.65 1.18 . . . . 0.0 111.682 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.47 72.02 1.3 Allowed Glycine 0 N--CA 1.491 2.307 0 CA-C-N 119.265 0.939 . . . . 0.0 114.982 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.43 129.29 37.44 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -66.75 -48.44 69.12 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -131.85 131.52 42.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.64 1.109 . . . . 0.0 111.749 171.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.81 111.95 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -102.53 106.95 17.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.693 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -104.4 111.15 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.7 107.19 19.02 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 162.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -101.42 108.23 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.586 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 171.32 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -88.11 108.3 19.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 111.156 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.61 153.29 22.49 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' CD ' ' HZ3' ' A' ' 1' ' ' LYS . 50.2 mt-10 -74.58 -34.53 62.91 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 173.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -136.54 172.75 12.55 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.906 1.336 . . . . 0.0 113.518 171.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.51 -38.65 87.68 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.03 -40.36 90.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 170.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -51.77 -49.36 62.81 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 158.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.28 -29.28 60.94 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -60.97 -62.2 2.03 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 121.197 1.817 . . . . 0.0 113.621 166.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.85 -37.41 79.2 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.93 -34.57 76.86 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 171.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.12 -54.01 51.8 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 157.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.69 -57.69 11.64 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 116.899 -1.525 . . . . 0.0 114.147 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.6 mt -43.35 -37.52 2.31 Favored 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.1 mt -72.15 -59.45 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.887 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.946 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.7 74.24 Favored 'General case' 0 CA--C 1.58 2.133 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -51.5 -42.26 61.57 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 126.445 1.898 . . . . 0.0 115.882 162.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.8 tp -65.69 -50.7 63.95 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 165.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.76 -38.7 79.03 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.61 -42.22 96.39 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 164.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -63.73 -45.96 87.56 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.59 -47.05 87.91 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.42 51.38 0.58 Allowed Glycine 0 N--CA 1.488 2.156 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -121.67 108.55 13.68 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -66.72 -41.14 88.4 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -95.11 98.84 10.94 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -165.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -115.34 95.66 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -90.96 108.05 19.6 Favored 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 123.693 0.797 . . . . 0.0 110.617 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 62.6 t -104.57 120.47 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.23 0.612 . . . . 0.0 110.281 -167.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.86 111.2 18.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.466 -0.771 . . . . 0.0 109.291 161.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.06 101.45 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -97.45 78.59 2.69 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.685 0.755 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.19 -108.95 2.64 Favored Glycine 0 N--CA 1.492 2.42 0 O-C-N 121.492 -0.755 . . . . 0.0 113.612 -168.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.6 p -98.46 -5.55 32.18 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.76 104.72 4.06 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.176 1.353 . . . . 0.0 110.922 168.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.4 t -94.14 100.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.25 110.94 23.35 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 121.408 0.623 . . . . 0.0 110.508 -174.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.6 mm -111.87 107.27 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -171.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.7 115.89 29.72 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.695 1.236 . . . . 0.0 110.53 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.92 142.45 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.822 0.849 . . . . 0.0 110.906 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -132.02 157.13 44.91 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-O 122.019 0.914 . . . . 0.0 110.757 160.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.497 1.923 0 O-C-N 120.444 -1.41 . . . . 0.0 107.493 168.253 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 24.6 m80 . . . . . 0 CA--C 1.559 1.292 0 CA-C-O 121.237 0.541 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -77.55 87.28 3.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 110.276 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -78.68 -52.68 8.07 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.3 t -121.57 89.53 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 167.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.12 102.52 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 161.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.47 107.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.672 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 172.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -115.27 105.13 12.52 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -156.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.41 110.37 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.44 -158.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -95.27 102.12 13.9 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.191 0.519 . . . . 0.0 109.78 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.2 mt -93.2 100.64 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.62 114.14 27.01 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.9 0.857 . . . . 0.0 110.705 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.53 55.69 3.67 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 121.485 -0.76 . . . . 0.0 111.22 171.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.26 5.4 t70 56.58 83.71 0.1 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.102 1.361 . . . . 0.0 112.962 -165.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 -54.04 4.84 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.934 1.534 . . . . 0.0 116.934 -168.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -65.43 111.55 3.12 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -173.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -110.5 139.89 45.31 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -159.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.2 mt -133.01 117.5 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 162.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -85.19 128.51 34.7 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.3 0.572 . . . . 0.0 112.015 164.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.5 mt -122.16 117.44 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -91.33 103.31 15.98 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.78 91.73 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.601 -1.312 . . . . 0.0 108.764 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -103.04 111.73 24.22 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.456 1.102 . . . . 0.0 112.453 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.56 140.86 47.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.995 0 C-N-CA 123.845 0.858 . . . . 0.0 110.196 -162.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -135.9 105.61 6.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 109.671 167.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 t -154.96 -174.43 4.98 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.94 0.876 . . . . 0.0 112.751 -168.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.04 -93.61 0.6 Allowed Glycine 0 N--CA 1.49 2.253 0 O-C-N 121.252 -0.905 . . . . 0.0 112.657 159.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -82.98 -32.9 26.78 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.18 -8.95 1.23 Allowed 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 121.282 3.808 . . . . 0.0 121.282 -156.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.4 -51.72 18.99 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 151.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -29.92 -56.86 0.18 Allowed 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 164.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -73.79 -39.13 64.35 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.88 97.71 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 164.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.79 -37.55 79.41 Favored 'General case' 0 CA--C 1.576 1.962 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -64.01 -31.9 73.25 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 164.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -67.81 -37.62 82.21 Favored 'General case' 0 CA--C 1.576 1.977 0 O-C-N 120.035 -1.666 . . . . 0.0 114.727 160.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.46 -44.53 92.98 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -56.84 -48.73 77.36 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-N 120.9 1.682 . . . . 0.0 115.533 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -51.73 -54.7 25.56 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 164.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.69 85.66 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.74 -47.15 84.79 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.38 76.33 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 168.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -79.73 59.66 3.15 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-N 119.382 0.992 . . . . 0.0 113.288 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.08 -54.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.456 1.102 . . . . 0.0 112.643 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.23 57.09 1.4 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 116.224 1.25 . . . . 0.0 116.224 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.56 138.13 31.74 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 121.995 0.902 . . . . 0.0 112.894 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -89.38 -50.69 5.97 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.586 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -106.54 146.66 30.35 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 121.649 0.738 . . . . 0.0 109.949 163.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.59 104.48 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 168.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -96.62 74.92 2.78 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.628 1.204 . . . . 0.0 110.819 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.21 133.82 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 C-N-CA 124.079 0.952 . . . . 0.0 111.074 -167.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -129.55 122.54 29.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.906 -1.121 . . . . 0.0 110.786 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.81 112.61 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.792 -0.568 . . . . 0.0 109.809 175.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -75.8 101.22 5.01 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.546 -0.721 . . . . 0.0 110.998 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.79 147.38 26.55 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 122.208 1.004 . . . . 0.0 113.591 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.45 -43.27 60.66 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.74 169.88 17.02 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.022 0.929 . . . . 0.0 111.814 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -57.45 -54.63 44.68 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 174.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.5 -36.95 85.48 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.83 -55.41 26.84 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 161.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.97 -34.22 59.13 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.34 -64.76 0.8 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 120.373 1.442 . . . . 0.0 113.546 166.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -61.91 -34.07 75.38 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 mt -65.99 -41.1 91.55 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 169.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -52.09 -58.62 6.02 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 156.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.22 -37.43 78.03 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.95 -45.31 60.66 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 159.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.83 -47.3 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 CA-C-N 119.797 1.18 . . . . 0.0 113.437 167.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.09 -48.49 78.48 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -49.16 -46.06 44.77 Favored 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 162.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.28 -58.39 8.73 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.74 -27.78 64.21 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -63.37 -41.5 98.82 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 159.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.21 -40.21 85.11 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 167.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.37 -42.2 96.3 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 165.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.53 48.01 1.01 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 116.366 1.307 . . . . 0.0 116.366 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.12 105.96 16.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -74.71 -43.94 52.53 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -95.4 118.37 32.02 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 119.581 1.082 . . . . 0.0 109.62 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.1 mt -130.07 104.59 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.75 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -166.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.27 130.95 37.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.396 -0.815 . . . . 0.0 110.726 172.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.27 110.94 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 120.958 -1.089 . . . . 0.0 109.201 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -109.36 111.77 23.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.644 -0.66 . . . . 0.0 110.614 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.76 111.1 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.15 73.72 6.28 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.289 -0.882 . . . . 0.0 110.699 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.31 -83.28 0.64 Allowed Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.527 -0.733 . . . . 0.0 114.333 -167.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -110.27 -36.77 5.72 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 166.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.57 117.15 11.73 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 119.739 1.154 . . . . 0.0 112.008 -172.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.12 117.17 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.165 -0.959 . . . . 0.0 109.121 -170.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -94.52 111.23 22.99 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.602 0.761 . . . . 0.0 109.538 169.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.49 111.2 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.718 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -100.43 93.4 5.62 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.406 1.082 . . . . 0.0 109.804 -171.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.79 145.89 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 121.262 0.553 . . . . 0.0 111.935 -170.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.11 39.28 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.556 1.17 . . . . 0.0 112.511 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -172.631 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 120.603 0.24 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.6 ttp -135.11 109.17 8.2 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 123.436 0.694 . . . . 0.0 109.671 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.286 7.6 ttpt 89.43 94.3 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 124.963 1.305 . . . . 0.0 113.58 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.44 100.89 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 148.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.1 109.68 21.71 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.386 1.474 . . . . 0.0 108.698 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -128.86 124.85 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.472 -0.767 . . . . 0.0 110.364 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 m -126.02 106.94 9.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -174.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -112.96 93.46 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -166.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -92.62 110.24 21.66 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 123.256 0.622 . . . . 0.0 111.134 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -106.21 103.46 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -171.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -78.88 114.49 17.86 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 119.685 1.129 . . . . 0.0 113.25 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -114.86 86.32 2.42 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 166.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.251 3.0 m-20 55.18 78.47 0.18 Allowed 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -40.27 2.13 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -79.8 101.52 8.54 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.59 99.12 4.19 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.748 0.785 . . . . 0.0 110.476 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.4 mm -81.6 96.41 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -95.81 118.65 32.87 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.909 -164.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.1 95.87 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 170.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.34 108.58 19.97 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 123.779 0.832 . . . . 0.0 109.613 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.2 pp -128.57 145.64 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 CA-C-O 122.423 1.106 . . . . 0.0 110.476 174.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 -137.1 77.85 1.66 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.366 -168.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.7 t -134.57 153.08 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -164.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -83.34 84.78 7.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 119.551 -1.968 . . . . 0.0 110.546 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.3 p -84.67 132.15 34.5 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -159.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.6 -99.35 1.17 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 123.693 0.663 . . . . 0.0 112.157 168.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -91.16 26.56 2.14 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 164.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -86.43 -49.66 7.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.613 -1.304 . . . . 0.0 112.632 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.7 tp -52.39 -39.32 60.71 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 159.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.02 -53.6 56.21 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.16 -43.27 92.1 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -52.63 63.81 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 165.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.62 -42.27 67.56 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.26 -53.18 59.26 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.82 -39.95 87.85 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 -40.24 95.66 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.27 -54.25 45.87 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 121.348 1.886 . . . . 0.0 114.21 166.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -49.52 -58.79 4.54 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 167.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.98 -43.18 95.29 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.46 -51.65 61.99 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.52 94.63 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 174.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -64.8 -37.73 88.59 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 168.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.58 -46.69 36.99 Favored 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.17 71.95 1.23 Allowed Glycine 0 N--CA 1.49 2.242 0 CA-C-N 119.509 1.049 . . . . 0.0 114.881 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.97 47.83 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.251 33.9 ptt-85 -94.87 -46.12 7.0 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -105.81 102.77 12.19 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 119.975 1.262 . . . . 0.0 109.405 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.02 105.85 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -169.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.28 103.58 16.22 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 118.303 0.502 . . . . 0.0 110.311 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.2 mt -98.58 104.11 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.8 m -104.82 116.0 31.27 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.682 0.674 . . . . 0.0 110.922 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -105.07 110.48 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 175.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -105.45 104.18 13.85 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.82 -179.74 4.39 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.42 -49.06 78.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.816 -1.177 . . . . 0.0 113.98 168.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -137.9 163.2 32.07 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 124.113 0.965 . . . . 0.0 109.692 171.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.0 47.49 0.53 Allowed 'General case' 0 CA--C 1.585 2.295 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 168.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -107.2 -50.92 3.0 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 124.403 1.081 . . . . 0.0 110.005 150.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -53.03 -54.23 38.44 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.7 88.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -56.46 -46.59 80.3 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 166.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.32 -42.27 75.58 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.5 -38.38 80.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 168.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -44.36 -54.51 5.76 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 161.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -57.69 -46.82 83.81 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.8 -47.28 74.21 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 168.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mt -60.09 -48.92 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 119.19 0.905 . . . . 0.0 112.752 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.28 66.1 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 169.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -54.03 -47.78 71.2 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.5 -55.87 19.05 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 165.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.16 -38.33 72.18 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -64.43 -39.69 94.31 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 165.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -60.03 -46.66 88.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 166.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.11 -44.99 94.11 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.02 66.32 0.45 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 119.146 0.884 . . . . 0.0 114.84 172.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.81 126.48 46.52 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 117.48 0.64 . . . . 0.0 111.017 -173.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.92 -47.33 7.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -93.69 104.94 17.01 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.503 1.501 . . . . 0.0 108.813 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.78 105.34 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -78.78 92.41 4.82 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 122.28 1.038 . . . . 0.0 110.532 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -82.49 112.5 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 C-N-CA 124.238 1.015 . . . . 0.0 108.736 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -134.08 109.98 9.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.7 -0.625 . . . . 0.0 111.905 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.92 108.18 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.12 0.968 . . . . 0.0 108.68 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -101.01 80.74 2.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.4 -101.87 0.81 Allowed Glycine 0 N--CA 1.494 2.504 0 O-C-N 121.002 -1.061 . . . . 0.0 114.951 -177.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.0 p -88.07 -17.68 30.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 166.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -100.89 97.96 8.5 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.637 1.175 . . . . 0.0 108.456 -161.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.42 101.24 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -168.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.28 117.08 28.74 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 121.678 0.751 . . . . 0.0 111.832 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.9 mm -102.86 99.86 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.633 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -102.76 103.56 13.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.433 0.635 . . . . 0.0 111.683 -170.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.02 140.59 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.534 -0.729 . . . . 0.0 110.802 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -134.88 95.68 3.38 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.499 1.986 0 O-C-N 120.338 -1.476 . . . . 0.0 108.456 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 CA--C 1.562 1.441 0 CA-C-O 122.441 1.115 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ttt -77.11 113.64 15.06 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -83.41 -112.8 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.289 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.54 84.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-N 120.464 1.484 . . . . 0.0 107.779 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.15 114.47 23.02 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 108.535 163.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.273 12.7 tt -97.01 107.98 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.752 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 161.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -108.59 118.74 37.57 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.17 126.21 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.3 108.16 19.42 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 160.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.05 93.05 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.31 88.56 7.51 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 123.275 1.512 . . . . 0.0 111.391 -171.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -87.4 151.41 23.1 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.423 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.63 92.59 0.86 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 112.474 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.08 -35.4 3.53 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -160.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -142.35 122.81 14.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 120.047 1.924 . . . . 0.0 111.44 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -86.22 100.96 12.61 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 109.531 162.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -85.34 97.86 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.94 146.76 45.51 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 -160.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 pt -145.82 135.63 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 123.02 0.528 . . . . 0.0 111.62 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -103.2 115.2 30.12 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.964 0.905 . . . . 0.0 110.111 162.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 pp -127.9 121.89 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.811 -1.181 . . . . 0.0 109.517 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -130.38 117.82 20.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.568 0.699 . . . . 0.0 112.492 -167.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.36 174.01 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 123.103 1.43 . . . . 0.0 111.251 -165.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -152.08 88.85 1.41 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 119.512 -1.993 . . . . 0.0 108.68 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -167.24 -54.6 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -158.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.26 -69.32 0.78 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.3 -0.875 . . . . 0.0 113.332 -165.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.45 -40.09 92.81 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.26 -37.31 86.73 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 122.062 2.21 . . . . 0.0 114.7 169.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.91 -43.48 86.22 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 162.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.93 -47.13 71.56 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.951 1.705 . . . . 0.0 115.495 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -49.18 78.58 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 167.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.49 88.31 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -52.18 -51.25 59.24 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 166.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.93 -39.3 93.85 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.88 -47.58 80.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 166.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -54.1 -47.42 71.79 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS 0.252 3.3 pt-20 -55.72 -48.24 75.52 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 170.085 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -62.01 -54.31 43.41 Favored 'General case' 0 CA--C 1.572 1.803 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 171.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 -31.2 72.32 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -53.97 16.58 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 120.389 1.45 . . . . 0.0 113.476 166.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.14 74.74 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -80.49 61.22 4.15 Favored 'General case' 0 CA--C 1.579 2.066 0 CA-C-N 119.723 1.147 . . . . 0.0 112.476 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.199 1.399 . . . . 0.0 112.023 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.39 74.0 1.26 Allowed Glycine 0 N--CA 1.49 2.268 0 CA-C-N 119.447 1.021 . . . . 0.0 115.418 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.14 130.6 38.74 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -78.99 -43.19 24.9 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -117.98 133.1 56.24 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 119.5 1.045 . . . . 0.0 109.106 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.5 t -138.9 109.5 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.193 -1.567 . . . . 0.0 110.315 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -89.15 109.98 20.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.449 -0.782 . . . . 0.0 110.259 169.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -106.12 111.27 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.63 130.98 46.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.2 tt -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 122.557 0.343 . . . . 0.0 111.217 169.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.2 p -83.43 139.02 33.22 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.037 -1.04 . . . . 0.0 113.8 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.81 156.27 24.17 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.42 -38.22 86.95 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 167.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -147.19 174.77 11.29 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.284 1.034 . . . . 0.0 111.115 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.93 -45.8 92.1 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.67 -38.03 88.76 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 169.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.99 -39.35 89.31 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 163.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.55 90.96 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 166.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -52.99 -54.84 29.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 161.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.13 -33.95 76.55 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.89 -39.84 94.16 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 162.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.92 -53.34 54.1 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 161.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -30.98 63.49 Favored 'General case' 0 CA--C 1.578 2.042 0 N-CA-C 116.685 2.105 . . . . 0.0 116.685 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.05 -56.76 9.94 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.006 1.275 . . . . 0.0 114.386 163.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.49 -45.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.787 1.176 . . . . 0.0 113.391 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.88 -45.81 64.26 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 170.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -41.6 99.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 168.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.6 tp -53.89 -50.68 65.81 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 164.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.65 -34.57 77.22 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -62.92 -45.92 90.24 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 161.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HZ3' ' CD ' ' A' ' 35' ' ' GLU . 74.8 tttt -53.75 -48.23 69.91 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 167.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.12 -44.92 87.13 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.34 75.86 1.03 Allowed Glycine 0 N--CA 1.487 2.092 0 CA-C-N 119.637 1.108 . . . . 0.0 114.225 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -126.8 143.87 51.13 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.78 0.8 . . . . 0.0 112.179 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -74.29 -61.97 1.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -102.31 83.33 2.3 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.437 1.017 . . . . 0.0 109.565 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.2 mt -93.18 95.4 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -96.67 105.13 17.19 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.481 0.658 . . . . 0.0 110.602 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 122.23 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-O 121.675 0.75 . . . . 0.0 112.517 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -138.11 70.89 1.39 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -170.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.7 117.21 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.053 -1.029 . . . . 0.0 110.38 -166.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . 0.25 34.3 t30 -94.94 71.63 3.42 Favored 'General case' 0 CA--C 1.572 1.789 0 C-N-CA 124.488 1.115 . . . . 0.0 110.343 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.24 -104.25 1.16 Allowed Glycine 0 N--CA 1.491 2.367 0 O-C-N 121.478 -0.764 . . . . 0.0 114.875 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.6 p -92.69 -10.57 36.73 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 168.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.94 102.04 11.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.794 1.238 . . . . 0.0 109.872 172.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.66 94.88 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -171.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -92.21 113.53 25.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.3 mt -111.9 118.05 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.87 102.29 9.84 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.456 -160.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.04 131.56 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.434 -0.792 . . . . 0.0 109.924 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.15 132.43 56.08 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 121.554 0.692 . . . . 0.0 109.814 158.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.127 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 77.1 m80 . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -135.79 126.47 27.22 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 120.087 1.312 . . . . 0.0 108.644 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.302 0.2 OUTLIER -125.21 -128.53 0.24 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.07 171.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.01 88.6 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 166.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.65 93.19 9.36 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 121.695 0.76 . . . . 0.0 109.507 -166.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.9 91.92 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -169.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.9 m -104.96 103.66 13.26 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.722 0.809 . . . . 0.0 108.934 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mt -103.83 106.01 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -91.63 103.22 15.84 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.874 0.87 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.0 94.71 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -94.73 107.89 19.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.403 -0.81 . . . . 0.0 111.848 -166.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtp-105 -123.75 75.06 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.077 0.551 . . . . 0.0 111.513 -170.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 48.77 62.22 2.69 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.25 -38.68 3.19 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 -166.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -78.6 81.34 4.92 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 119.343 1.571 . . . . 0.0 111.557 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -93.14 103.99 16.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.513 0.673 . . . . 0.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -97.71 106.43 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.81 120.02 40.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.697 0.799 . . . . 0.0 112.795 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.2 110.71 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -174.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -100.62 125.58 47.02 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.87 0.868 . . . . 0.0 112.706 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 pt -133.07 122.69 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 120.945 -1.097 . . . . 0.0 110.492 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -93.83 115.0 27.37 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.774 -1.204 . . . . 0.0 111.15 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.97 146.69 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 O-C-N 121.628 -0.67 . . . . 0.0 110.173 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -158.33 101.81 1.73 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.44 -2.038 . . . . 0.0 110.892 160.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -164.56 -39.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -172.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.7 68.0 1.72 Allowed Glycine 0 N--CA 1.497 2.743 0 CA-C-N 121.275 1.852 . . . . 0.0 115.082 -164.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.299 17.6 ptmt 176.0 -61.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.548 1.139 . . . . 0.0 111.49 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.26 -24.61 29.87 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.65 -50.03 64.0 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.015 1.28 . . . . 0.0 114.185 158.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -60.12 -36.81 78.29 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -65.73 -56.34 12.59 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 161.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.95 -48.3 81.03 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.59 -42.4 71.03 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -67.55 -43.18 81.31 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-N 120.902 1.683 . . . . 0.0 115.317 172.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.37 -31.16 72.12 Favored 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -69.9 -42.57 73.22 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 121.339 1.881 . . . . 0.0 115.353 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -43.79 -58.56 2.66 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 156.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -55.9 -43.19 77.03 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 170.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.73 -35.58 70.88 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 tp -59.75 -42.85 94.15 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.79 88.77 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 164.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -57.23 -46.49 82.92 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 164.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.22 -47.39 16.04 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.14 88.65 0.23 Allowed Glycine 0 N--CA 1.486 2.0 0 CA-C-N 119.457 1.026 . . . . 0.0 113.534 -168.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.25 124.48 24.57 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.717 0.759 . . . . 0.0 112.682 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -73.3 -45.23 56.65 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -95.89 116.24 28.63 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 119.897 1.226 . . . . 0.0 110.006 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.74 102.23 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.21 101.41 13.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.111 0.965 . . . . 0.0 110.151 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.07 107.4 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -101.23 122.74 44.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mm -112.52 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 165.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -85.42 102.35 13.38 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 119.117 0.871 . . . . 0.0 110.459 171.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.39 169.13 11.33 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -171.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.96 -47.51 68.44 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -130.14 153.43 48.53 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 122.282 1.039 . . . . 0.0 110.774 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -54.4 -34.17 60.77 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 161.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -57.04 -43.8 82.3 Favored 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 165.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.95 -40.33 88.64 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 167.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.15 57.09 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.01 -60.1 4.37 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 173.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.98 -35.77 81.3 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -56.99 -47.94 79.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 165.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.8 tp -52.14 -55.91 17.88 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 167.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.56 -43.19 94.69 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.86 -48.38 81.94 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.5 mt -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 CA-C-N 120.353 1.433 . . . . 0.0 112.836 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.13 82.64 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -49.81 -53.14 27.16 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 161.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -54.5 -53.04 59.61 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.85 -33.38 62.13 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -57.75 -40.52 79.89 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -57.88 -46.59 84.65 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 167.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.99 -48.75 67.5 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.38 57.16 0.04 OUTLIER Glycine 0 N--CA 1.487 2.042 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -127.39 99.77 5.77 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.74 -35.91 65.1 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -90.93 80.44 5.77 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.395 0.998 . . . . 0.0 109.962 -166.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.8 mt -99.82 100.21 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -167.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -113.6 109.64 18.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.507 -0.746 . . . . 0.0 110.602 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -104.17 136.47 37.3 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.23 115.44 30.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 151.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.3 t -85.22 95.18 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 164.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.34 86.42 2.42 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.609 0.719 . . . . 0.0 110.566 -166.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.5 -103.75 1.77 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.548 -0.72 . . . . 0.0 113.244 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.6 p -108.94 7.42 25.95 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 162.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.57 128.11 35.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 120.397 1.453 . . . . 0.0 111.915 166.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.05 89.43 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 151.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 92.06 7.19 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.334 0.653 . . . . 0.0 109.371 176.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -101.39 115.68 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -91.34 115.43 28.02 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.873 -0.517 . . . . 0.0 109.635 162.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.5 m -103.57 138.17 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-O 121.212 0.53 . . . . 0.0 111.33 174.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -128.95 159.64 35.22 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 122.354 1.073 . . . . 0.0 112.112 170.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.0 -1.063 . . . . 0.0 108.255 -175.506 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.511 ' N ' ' HZ2' ' A' ' 1' ' ' LYS . 91.8 m-70 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.3 ttt -106.47 110.66 22.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.597 0.759 . . . . 0.0 110.052 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.511 ' HZ2' ' N ' ' A' ' -1' ' ' HIS . 9.6 mptt -132.41 -92.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.776 -0.578 . . . . 0.0 109.744 173.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.52 86.48 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -93.69 98.35 11.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -161.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mm -85.03 106.0 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 C-N-CA 123.338 0.655 . . . . 0.0 109.532 -171.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.1 m -105.15 100.1 9.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mm -86.55 104.81 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' HZ2' ' CD ' ' A' ' 16' ' ' GLU . 39.3 mttt -101.19 103.35 14.38 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.536 1.062 . . . . 0.0 110.619 176.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.91 106.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -98.3 120.42 38.68 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.742 0.782 . . . . 0.0 110.776 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -135.09 131.0 36.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.684 0.794 . . . . 0.0 109.368 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.29 45.65 28.07 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 161.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.39 28.79 73.69 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 119.863 2.705 . . . . 0.0 119.863 -166.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -141.11 97.01 3.09 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 119.285 1.543 . . . . 0.0 109.407 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.15 101.98 14.7 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.91 0.884 . . . . 0.0 111.393 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -91.82 105.75 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 12.6 pt-20 -104.02 115.48 30.51 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.878 0.847 . . . . 0.0 112.622 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -113.18 114.04 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -75.69 116.61 16.58 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 163.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.269 9.8 tp -133.56 61.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.388 1.09 . . . . 0.0 110.04 174.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -71.82 141.41 49.64 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 -170.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.2 t -118.56 123.65 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.651 0.738 . . . . 0.0 109.639 -163.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -137.86 86.51 2.18 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 161.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.299 3.0 t -161.28 -71.09 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 119.016 -0.516 . . . . 0.0 110.888 -168.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.43 125.36 5.62 Favored Glycine 0 N--CA 1.491 2.337 0 CA-C-N 119.523 1.056 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.31 96.7 mttt 72.06 -41.07 0.49 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -169.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -77.32 70.72 3.74 Favored 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 124.092 1.901 . . . . 0.0 110.832 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.3 tp -168.13 -56.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.02 -1.9 . . . . 0.0 107.762 -159.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.72 -46.43 77.75 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 165.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -53.2 -50.96 63.59 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 166.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.52 81.21 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -49.18 -45.0 43.45 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.94 -47.0 76.13 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 172.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.78 -42.61 97.89 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 167.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.276 0.7 OUTLIER -59.5 -45.35 91.97 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.404 1.911 . . . . 0.0 115.589 169.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -50.05 -55.07 16.27 Favored 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 161.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.78 95.46 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -50.81 -53.21 33.91 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 166.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.43 64.47 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.92 -29.29 69.13 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.3 68.18 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.9 61.25 1.61 Allowed Glycine 0 N--CA 1.489 2.224 0 CA-C-N 119.636 1.107 . . . . 0.0 115.234 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.1 156.06 36.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -55.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 168.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -119.9 112.72 19.56 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.662 0.785 . . . . 0.0 108.958 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.92 116.55 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.271 15.8 pt20 -115.37 100.52 8.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.681 0.753 . . . . 0.0 111.547 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.17 113.29 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.8 m -99.09 107.5 19.91 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -104.05 112.08 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -97.56 108.29 20.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 110.917 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.75 166.7 10.74 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.48 -50.36 59.33 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -126.23 160.97 28.83 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.446 1.117 . . . . 0.0 111.99 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -56.41 -40.25 74.39 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.98 2.215 . . . . 0.0 116.98 168.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.48 -45.72 62.88 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 163.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -61.18 -53.75 53.02 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 168.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.29 -42.13 40.22 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.612 2.449 . . . . 0.0 117.612 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -56.8 -55.81 29.62 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 170.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.37 -36.11 78.72 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.0 -42.68 94.28 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 172.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.5 tp -42.92 -57.07 2.99 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 157.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.01 -46.73 83.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -54.9 -47.67 74.03 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 168.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.84 -47.89 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 120.146 1.339 . . . . 0.0 112.986 172.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.53 -50.74 62.25 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 168.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -55.06 -46.65 75.39 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 168.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.04 -57.29 9.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.71 -40.55 72.76 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.43 -45.61 80.66 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 163.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -57.15 -44.06 83.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.65 -53.02 60.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.38 68.86 0.05 OUTLIER Glycine 0 N--CA 1.487 2.057 0 CA-C-N 118.937 0.79 . . . . 0.0 113.85 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.69 135.53 38.27 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.012 0.525 . . . . 0.0 111.032 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -109.03 -49.14 3.17 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -172.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.17 82.81 7.91 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 120.068 1.304 . . . . 0.0 110.175 -170.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.26 98.74 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -166.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.73 102.31 11.89 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.035 0.922 . . . . 0.0 109.798 -173.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.48 129.94 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.431 0.692 . . . . 0.0 110.029 -172.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -132.12 129.84 40.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.502 -0.749 . . . . 0.0 110.1 162.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.8 107.34 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -94.66 85.71 4.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.506 -0.746 . . . . 0.0 109.959 172.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.66 -97.48 0.71 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 121.67 -0.644 . . . . 0.0 113.977 -173.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 p -107.97 2.15 23.05 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.4 96.46 8.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.477 1.49 . . . . 0.0 110.272 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.9 t -99.12 101.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -95.17 116.83 29.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.616 0.644 . . . . 0.0 112.365 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 mm -105.87 96.51 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -91.74 118.14 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.22 0.608 . . . . 0.0 111.633 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.31 127.94 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 122.84 0.456 . . . . 0.0 111.893 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -103.51 145.76 29.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.902 0.858 . . . . 0.0 111.575 169.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 123.345 1.545 . . . . 0.0 112.896 -176.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.171 0.51 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.3 mtp -85.75 68.82 10.5 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.794 -1.191 . . . . 0.0 113.066 -177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -157.92 118.51 3.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -83.35 112.19 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.567 0.747 . . . . 0.0 109.075 -170.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -75.69 119.73 20.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 168.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.97 85.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 166.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.0 m -84.88 115.57 22.84 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.956 -1.09 . . . . 0.0 109.975 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.52 112.22 32.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -108.27 111.31 23.2 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.564 -0.71 . . . . 0.0 110.004 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mt -89.49 104.17 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -95.77 89.77 5.41 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.508 0.671 . . . . 0.0 111.085 -171.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.11 74.33 4.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.939 -1.101 . . . . 0.0 111.353 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 52.91 58.31 5.46 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.64 -48.98 1.47 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 116.654 1.422 . . . . 0.0 116.654 -164.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.55 99.65 4.32 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.39 1.595 . . . . 0.0 111.347 -177.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.23 97.99 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.764 0.793 . . . . 0.0 112.456 -163.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 92.03 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.02 -1.05 . . . . 0.0 108.955 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.35 124.32 33.25 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.21 122.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.564 0.697 . . . . 0.0 110.406 174.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.88 92.23 5.73 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 124.179 0.992 . . . . 0.0 112.69 -172.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.7 mt -88.25 94.57 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.357 -1.464 . . . . 0.0 108.596 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -103.63 108.81 20.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.465 -0.772 . . . . 0.0 111.461 -168.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.9 137.21 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.344 -0.848 . . . . 0.0 110.564 -162.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 t -143.26 83.21 1.78 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.893 -1.13 . . . . 0.0 112.226 171.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.265 3.0 t -165.39 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.16 -62.77 0.42 Allowed Glycine 0 N--CA 1.491 2.329 0 CA-C-N 119.333 0.969 . . . . 0.0 114.01 -164.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.96 -129.06 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.796 164.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.286 19.0 tt0 67.5 -60.24 0.39 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -54.76 -47.15 74.23 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 162.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -51.32 -44.53 61.98 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.15 -49.31 74.87 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 168.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.34 92.86 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 116.655 2.095 . . . . 0.0 116.655 170.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.47 -44.59 65.69 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 170.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -59.58 -48.53 81.31 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 169.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.36 -37.94 89.27 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.78 -47.95 82.93 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 120.826 1.648 . . . . 0.0 115.118 169.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 32.4 tt0 -49.65 -54.09 20.55 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 165.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -53.07 -55.44 23.81 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.44 94.81 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.77 -41.21 97.41 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.9 -51.56 57.6 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 166.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.43 -37.94 83.81 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.44 -35.44 70.92 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 167.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.04 68.21 1.14 Allowed Glycine 0 N--CA 1.487 2.079 0 CA-C-N 119.068 0.849 . . . . 0.0 113.886 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.96 93.51 9.5 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -43.25 73.07 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -121.93 129.82 52.84 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.499 1.045 . . . . 0.0 109.015 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.5 120.91 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.262 12.2 pt20 -103.42 112.59 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.557 -0.715 . . . . 0.0 111.687 167.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.26 113.56 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -107.02 109.84 21.83 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 116.87 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 122.672 0.389 . . . . 0.0 111.328 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -88.74 106.44 18.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.723 -0.611 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.64 160.07 14.9 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.2 -41.85 85.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 177.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -144.11 166.5 24.84 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 124.49 1.116 . . . . 0.0 110.866 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.57 -43.18 75.69 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.06 -44.74 96.04 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.2 -48.92 77.56 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 167.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.95 -42.96 63.27 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 164.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.49 93.0 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.74 -46.69 74.64 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 120.08 1.309 . . . . 0.0 114.238 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.28 -35.86 70.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 170.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.6 tp -52.06 -50.57 61.25 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 165.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -54.94 27.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 165.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.18 -45.0 72.0 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.9 mt -68.48 -57.09 10.08 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.996 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.815 169.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.97 67.17 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.97 -44.79 87.28 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.12 -52.05 65.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 164.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.2 mt -59.9 -50.45 73.72 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -62.19 -35.34 78.53 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HZ1' ' CD ' ' A' ' 35' ' ' GLU . 19.2 ttpp -64.6 -40.08 94.88 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 165.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -49.01 79.22 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.08 57.97 0.33 Allowed Glycine 0 N--CA 1.485 1.936 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -109.25 112.51 24.7 Favored 'General case' 0 CA--C 1.561 1.384 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -63.23 -40.69 98.17 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -105.4 121.84 44.74 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 mt -125.94 94.74 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -108.65 99.82 9.14 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.446 -0.784 . . . . 0.0 110.399 -157.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -102.48 129.6 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 123.369 0.667 . . . . 0.0 111.148 -161.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -140.21 124.94 18.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.402 -0.811 . . . . 0.0 110.674 163.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.49 123.67 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 O-C-N 121.44 -0.787 . . . . 0.0 111.938 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -96.79 86.97 4.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.286 -0.884 . . . . 0.0 109.698 169.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.47 -93.75 0.72 Allowed Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.612 -0.68 . . . . 0.0 113.74 -172.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -110.07 -2.75 16.82 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 164.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -82.59 101.95 11.11 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.499 1.5 . . . . 0.0 110.894 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.7 t -85.99 100.49 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -94.69 101.24 13.08 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.643 0.777 . . . . 0.0 109.467 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.7 mt -102.9 108.91 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -94.75 114.58 26.51 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.227 0.537 . . . . 0.0 110.533 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -96.42 143.0 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.03 127.99 41.06 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 124.4 2.048 . . . . 0.0 111.251 -176.505 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 41.9 m80 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.23 141.63 30.86 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 118.857 0.753 . . . . 0.0 111.838 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -76.8 89.33 3.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.566 -0.709 . . . . 0.0 111.461 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -136.52 78.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 161.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.68 134.67 37.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.634 -0.666 . . . . 0.0 110.611 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 pp -107.0 111.03 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 157.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 m -108.88 103.07 12.05 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -112.33 106.42 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -110.87 118.04 35.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.345 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mt -97.34 109.4 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -82.47 82.53 7.87 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.659 0.742 . . . . 0.0 109.478 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -97.0 97.36 9.18 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.37 -0.831 . . . . 0.0 111.168 -162.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.366 7.8 m-20 77.56 -77.82 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 122.141 0.972 . . . . 0.0 112.196 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.87 57.48 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 CA-C-N 114.625 -1.17 . . . . 0.0 113.322 150.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -144.98 103.82 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 117.481 0.641 . . . . 0.0 109.803 -174.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.53 101.4 8.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.84 98.23 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.51 124.98 31.28 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.807 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.6 mm -117.63 95.81 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 167.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.55 96.79 6.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.301 1.04 . . . . 0.0 111.403 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.37 144.39 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.919 -1.113 . . . . 0.0 111.444 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -106.15 144.33 33.01 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.03 89.56 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.675 -0.641 . . . . 0.0 109.492 -161.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.7 p -103.85 84.16 2.22 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.522 -1.361 . . . . 0.0 114.446 -162.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -179.41 -54.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 123.71 0.804 . . . . 0.0 112.813 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.8 -59.63 0.45 Allowed Glycine 0 N--CA 1.49 2.259 0 CA-C-N 119.059 0.845 . . . . 0.0 113.526 -155.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 17.2 mmtm -63.8 -44.2 94.01 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -53.78 -47.22 70.95 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 162.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.82 -47.42 85.18 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 173.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.451 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 36.9 tt0 -51.19 -53.47 34.61 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 166.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.78 -47.33 86.14 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.3 47.0 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 170.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.06 -40.15 84.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.55 -53.31 48.01 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 165.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.255 15.3 tp10 -66.15 -32.19 73.48 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.6 -50.45 70.09 Favored 'General case' 0 N--CA 1.504 2.257 0 CA-C-N 123.489 2.859 . . . . 0.0 114.736 165.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -47.95 -52.83 18.09 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.77 -53.48 57.5 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 169.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.48 73.95 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -55.53 -45.46 77.19 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 170.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.65 -47.71 62.38 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 166.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -56.94 -51.41 69.27 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 -19.49 52.85 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.53 65.0 2.06 Favored Glycine 0 N--CA 1.489 2.205 0 CA-C-N 120.107 1.321 . . . . 0.0 114.515 -172.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 90.8 8.53 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.44 1.114 . . . . 0.0 113.19 -168.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -63.98 -44.33 93.03 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -136.35 103.19 5.2 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -171.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.26 114.88 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.116 -0.99 . . . . 0.0 108.965 -166.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 117.07 27.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.48 -0.762 . . . . 0.0 110.185 162.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.55 100.71 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -99.27 107.17 19.41 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 tt -103.44 116.83 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 t -101.14 106.35 17.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.969 -0.457 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.93 169.61 9.52 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -77.39 -44.18 30.13 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -107.69 154.04 22.05 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.084 0.856 . . . . 0.0 112.226 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.02 -45.46 94.71 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 165.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -54.97 -39.15 68.66 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 167.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.79 -53.72 55.2 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 166.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.5 79.79 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 171.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -51.16 -51.63 51.83 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 164.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.04 -44.43 92.53 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 170.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.53 -33.92 71.98 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 tp -54.91 -53.56 53.97 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 166.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -48.66 -57.42 6.29 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 163.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -57.75 -46.49 84.44 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.25 -56.21 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.007 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.131 170.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.05 66.06 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -58.64 -40.41 83.34 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 166.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -50.3 74.07 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 164.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.5 mt -58.46 -43.54 88.92 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -51.6 -46.66 63.63 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 161.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -18.36 63.55 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 171.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.6 -59.44 2.72 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.403 1.91 . . . . 0.0 112.844 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.95 79.03 0.45 Allowed Glycine 0 N--CA 1.484 1.89 0 CA-C-N 118.709 0.686 . . . . 0.0 113.165 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -132.9 127.56 34.64 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.269 0.628 . . . . 0.0 109.894 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.92 -46.01 54.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.98 127.24 39.65 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.4 mm -125.03 88.33 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -99.59 94.23 6.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 111.166 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -83.27 129.66 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 121.307 -0.871 . . . . 0.0 112.286 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 111.34 13.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 166.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 t -94.47 128.5 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.565 -0.709 . . . . 0.0 109.835 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -110.67 71.13 0.74 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.404 -0.81 . . . . 0.0 110.742 169.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.63 -98.58 0.35 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 121.546 -0.722 . . . . 0.0 114.844 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -91.93 -8.44 46.29 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.92 111.65 22.78 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 119.656 1.117 . . . . 0.0 109.852 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 t -103.95 102.5 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -90.85 102.1 14.86 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.62 0.645 . . . . 0.0 111.604 169.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.8 mt -94.88 105.07 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -87.89 106.27 17.99 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.481 1.112 . . . . 0.0 110.243 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.0 128.95 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.142 0.496 . . . . 0.0 111.213 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -128.96 133.57 47.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.364 0.602 . . . . 0.0 110.837 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.263 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.292 60.3 mtt 70.52 -59.83 0.51 Allowed 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 72.48 128.47 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 125.893 1.677 . . . . 0.0 113.322 -167.484 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.3 108.73 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -122.99 110.85 15.89 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -172.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.16 91.07 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-N 120.074 1.307 . . . . 0.0 109.209 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -87.73 105.29 17.28 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 122.049 0.928 . . . . 0.0 108.565 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.93 107.83 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -98.94 97.33 8.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.321 0.581 . . . . 0.0 110.591 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -81.55 98.06 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -91.74 93.48 8.9 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.772 1.273 . . . . 0.0 108.355 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 123.13 49.59 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.103 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 37.54 69.54 0.23 Allowed 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 168.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.89 30.51 73.29 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 119.988 2.755 . . . . 0.0 119.988 -171.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -148.37 106.12 3.69 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 119.584 1.692 . . . . 0.0 110.83 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -82.74 103.34 12.17 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.928 0.891 . . . . 0.0 111.294 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.3 mt -104.96 100.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -98.84 121.28 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.93 97.5 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.76 107.96 19.62 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.014 0.926 . . . . 0.0 111.408 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.276 2.5 pp -127.27 130.88 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 120.895 -1.128 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -114.55 117.47 31.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.566 0.746 . . . . 0.0 110.105 -164.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.01 93.14 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.926 0.87 . . . . 0.0 109.654 -155.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -87.36 65.94 8.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.768 -1.208 . . . . 0.0 113.766 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -168.78 156.44 7.67 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.929 0.871 . . . . 0.0 112.322 -155.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.67 156.33 15.72 Favored Glycine 0 N--CA 1.492 2.375 0 CA-C-O 121.693 0.607 . . . . 0.0 114.171 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.363 60.5 mttp 72.27 -48.42 0.68 Allowed 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.78 -49.72 74.46 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 162.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 tp -54.8 -50.63 68.06 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -48.34 -54.83 12.43 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 166.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -61.68 -46.65 88.8 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.95 79.64 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.63 -40.18 78.61 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.64 -42.11 95.69 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.85 -36.85 81.05 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 121.128 1.786 . . . . 0.0 115.583 166.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -66.35 -40.25 89.69 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -44.24 -55.54 4.79 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 155.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -58.9 -52.48 65.58 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.03 72.59 Favored 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 167.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tt -54.24 -54.64 37.25 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.81 74.23 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 171.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -59.38 -33.12 70.8 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.14 75.29 Favored 'General case' 0 CA--C 1.566 1.595 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 168.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.87 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 119.952 1.251 . . . . 0.0 115.166 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.98 142.24 43.37 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -164.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -86.41 -44.83 11.71 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.13 100.48 6.57 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 119.628 1.104 . . . . 0.0 108.809 -174.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 t -108.92 115.24 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.25 -1.531 . . . . 0.0 108.56 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -107.21 98.37 8.01 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.585 0.754 . . . . 0.0 110.817 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.5 109.16 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -113.39 109.82 19.32 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -98.12 112.67 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.612 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -83.67 97.13 8.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.959 -0.463 . . . . 0.0 110.778 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.16 155.92 17.69 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.397 1.094 . . . . 0.0 113.864 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.05 -43.97 32.51 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -123.04 157.75 32.07 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 122.311 1.053 . . . . 0.0 111.67 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -51.72 -51.11 58.57 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 161.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -56.17 -33.43 65.25 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.3 -56.87 11.57 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 120.137 1.335 . . . . 0.0 113.632 161.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.76 51.06 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -50.56 73.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 171.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.25 8.5 pt-20 -72.94 -32.57 65.36 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 172.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.28 -39.66 95.2 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 165.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -48.28 -54.9 12.03 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 159.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -45.4 93.33 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 173.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 tp -54.04 -49.24 69.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.55 -48.37 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 CA-C-N 119.456 1.025 . . . . 0.0 111.952 171.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.42 -46.39 66.32 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 171.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -50.32 -51.48 44.99 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.89 -49.8 72.39 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.45 -41.25 96.65 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -59.44 -45.13 92.45 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 166.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -56.68 -48.11 78.38 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 164.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.36 -47.0 87.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 174.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.72 72.8 0.82 Allowed Glycine 0 N--CA 1.488 2.135 0 CA-C-N 119.294 0.952 . . . . 0.0 114.426 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -132.74 130.92 40.62 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.095 0.558 . . . . 0.0 110.613 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -81.32 -48.71 11.62 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -93.75 83.77 4.49 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.603 1.092 . . . . 0.0 109.709 -164.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.8 mt -97.21 95.28 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -168.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -88.38 96.27 10.53 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 124.466 1.107 . . . . 0.0 111.159 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.3 122.23 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 110.372 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -124.59 117.86 25.26 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 121.478 -0.764 . . . . 0.0 109.342 161.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.43 97.68 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 165.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -91.88 73.84 5.68 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 123.896 0.878 . . . . 0.0 110.471 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.14 -103.81 1.64 Allowed Glycine 0 N--CA 1.491 2.306 0 O-C-N 121.525 -0.735 . . . . 0.0 113.836 -167.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.2 p -102.13 -15.43 16.7 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 167.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -67.64 113.04 5.12 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-N 119.973 1.26 . . . . 0.0 111.629 169.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.0 t -100.76 98.82 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -96.75 100.73 12.26 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.285 1.034 . . . . 0.0 108.763 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.7 mt -112.3 105.36 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -100.92 118.49 37.06 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.363 0.665 . . . . 0.0 110.555 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.2 m -101.34 131.52 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.209 1.004 . . . . 0.0 111.988 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -122.78 153.7 39.17 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 122.651 1.215 . . . . 0.0 110.506 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -172.621 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.0 tptt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -141.92 89.33 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.64 112.0 23.59 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.75 90.27 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m -104.93 116.87 32.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.897 -0.502 . . . . 0.0 110.442 -170.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.81 106.16 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -94.13 109.51 21.28 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 119.308 0.958 . . . . 0.0 109.469 164.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -89.33 110.92 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -86.84 107.69 18.42 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.822 0.82 . . . . 0.0 108.797 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -103.62 -175.25 2.75 Favored 'General case' 0 CA--C 1.571 1.775 0 CA-C-O 122.852 1.311 . . . . 0.0 111.773 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.06 91.2 0.07 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.69 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.78 79.36 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 120.166 2.826 . . . . 0.0 120.166 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -160.02 131.47 5.97 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.912 1.856 . . . . 0.0 109.544 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.27 136.24 33.24 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.418 0.628 . . . . 0.0 112.158 160.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.39 105.96 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -105.78 125.9 51.53 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.289 0.566 . . . . 0.0 111.551 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 pt -132.94 126.07 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.21 0.604 . . . . 0.0 109.537 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -110.93 129.68 55.81 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.441 0.696 . . . . 0.0 111.395 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.1 mm -116.61 82.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -96.8 121.25 38.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.787 -1.195 . . . . 0.0 113.354 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.93 138.58 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.613 -0.679 . . . . 0.0 111.699 -158.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -121.41 105.93 10.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.969 -1.082 . . . . 0.0 109.474 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -160.37 -66.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.1 130.82 5.55 Favored Glycine 0 N--CA 1.484 1.864 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -155.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.355 64.7 mmtt 77.52 -34.98 0.2 Allowed 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 168.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' HE ' ' A' ' 29' ' ' ARG . 4.9 mm-40 -61.95 -30.73 71.11 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 161.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.47 -54.32 42.5 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 119.902 1.228 . . . . 0.0 113.747 163.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.44 -49.36 74.79 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HE ' ' CD ' ' A' ' 26' ' ' GLU . 25.9 mtp85 -58.38 -49.05 78.62 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 172.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.81 87.28 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 166.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.8 -42.14 64.81 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -59.55 -49.71 76.7 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 169.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.2 -36.05 80.92 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.83 -44.26 94.15 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 168.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -58.72 4.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -50.36 -48.39 55.66 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 166.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.96 82.52 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.78 -45.52 74.28 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -47.72 77.49 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -60.84 -47.08 87.98 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.75 65.9 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.03 63.25 2.58 Favored Glycine 0 N--CA 1.488 2.164 0 CA-C-N 119.53 1.059 . . . . 0.0 114.597 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 94.77 9.98 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.682 0.753 . . . . 0.0 112.326 -169.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -72.72 -36.55 67.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -125.14 112.27 16.27 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 119.635 1.107 . . . . 0.0 108.242 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.62 124.77 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.144 -0.973 . . . . 0.0 109.557 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -99.33 104.08 15.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 165.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.25 113.77 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 m -108.81 112.62 24.98 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.76 105.7 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -75.07 84.87 2.31 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 124.786 1.234 . . . . 0.0 111.737 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.15 154.84 17.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -166.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.56 -37.0 57.3 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -146.73 171.34 15.31 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.544 1.164 . . . . 0.0 112.12 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.75 -44.43 85.91 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.2 -42.79 99.37 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.04 -53.72 49.13 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 163.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.28 55.15 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -56.84 -61.64 2.3 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 120.574 1.534 . . . . 0.0 113.92 169.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -70.24 -28.72 65.48 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.1 -45.45 91.99 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.349 1.886 . . . . 0.0 114.029 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.14 -55.7 6.67 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 163.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.1 -34.2 68.44 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.6 -44.55 69.51 Favored 'General case' 0 N--CA 1.505 2.306 0 CA-C-N 123.069 2.668 . . . . 0.0 116.069 162.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.31 -47.82 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.031 0 CA-C-N 119.524 1.057 . . . . 0.0 112.452 170.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.22 71.89 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -50.51 -47.38 57.38 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 166.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.12 -59.54 4.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.41 -31.3 62.27 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -63.6 -35.2 79.73 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -47.22 85.28 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 120.971 1.714 . . . . 0.0 114.729 165.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.2 -43.06 87.83 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.71 68.2 0.57 Allowed Glycine 0 N--CA 1.487 2.08 0 CA-C-N 119.457 1.026 . . . . 0.0 114.573 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.88 123.78 50.03 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.068 0.547 . . . . 0.0 110.484 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.62 -44.65 56.5 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.67 80.72 1.94 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.192 0.905 . . . . 0.0 110.083 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.2 mt -96.78 95.92 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -166.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 102.86 12.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.504 -0.747 . . . . 0.0 110.792 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -88.85 134.37 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -133.03 123.8 26.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 109.184 155.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.47 115.7 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -88.96 83.58 6.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.12 -89.96 0.5 Allowed Glycine 0 N--CA 1.492 2.396 0 O-C-N 121.917 -0.489 . . . . 0.0 113.926 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.2 p -104.68 -10.08 17.74 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 166.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.21 105.79 18.05 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.501 1.5 . . . . 0.0 109.985 -165.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -93.38 100.98 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -165.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -91.49 120.19 32.1 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.272 0.942 . . . . 0.0 111.524 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.9 mt -115.79 111.0 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -95.13 111.32 23.16 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.59 123.12 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 123.103 0.561 . . . . 0.0 111.739 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -120.57 121.82 39.21 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.023 0.439 . . . . 0.0 110.388 -172.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 122.775 1.274 . . . . 0.0 108.59 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.7 mttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.36 91.63 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.75 119.23 33.02 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.897 -0.502 . . . . 0.0 110.393 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.06 86.08 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -86.49 104.97 16.46 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 122.014 0.912 . . . . 0.0 109.088 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.3 mt -95.21 134.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.004 0.922 . . . . 0.0 109.157 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -126.5 102.42 7.11 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 156.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 pt -98.84 116.45 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.28 -0.887 . . . . 0.0 110.778 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.1 102.72 15.37 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -94.8 83.28 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.433 1.093 . . . . 0.0 111.053 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.9 55.09 10.08 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.95 -48.17 1.16 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -163.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -79.26 100.52 7.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 118.687 1.243 . . . . 0.0 112.948 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.28 107.27 11.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.011 -1.056 . . . . 0.0 111.659 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -103.25 112.53 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -174.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -116.92 138.44 51.54 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -164.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -145.28 121.19 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -95.05 105.4 17.32 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.584 -0.698 . . . . 0.0 111.113 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.65 94.19 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -93.15 97.12 10.46 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 123.244 0.617 . . . . 0.0 111.971 -171.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -144.05 88.94 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 -161.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.0 p -93.99 85.51 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.546 -1.346 . . . . 0.0 111.746 172.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -166.62 155.87 11.03 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.914 0.885 . . . . 0.0 109.814 -164.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.69 -64.19 1.91 Allowed Glycine 0 N--CA 1.495 2.569 0 O-C-N 120.77 -1.206 . . . . 0.0 114.397 165.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.89 140.26 51.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 122.389 -0.477 . . . . 0.0 111.791 168.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.4 46.0 mt-10 89.83 -51.4 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.498 1.119 . . . . 0.0 113.891 -165.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -55.28 -53.52 55.06 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 120.388 1.449 . . . . 0.0 114.866 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.06 -41.71 92.96 Favored 'General case' 0 CA--C 1.575 1.923 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 171.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.85 -46.13 90.79 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 169.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -52.53 65.19 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 166.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -49.21 -49.17 44.13 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.5 -21.0 61.27 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -87.98 -32.34 18.9 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 122.334 2.334 . . . . 0.0 115.257 163.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.24 -42.3 99.2 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.367 -1.458 . . . . 0.0 114.873 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -50.37 -42.07 52.8 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 160.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -66.99 -50.58 61.79 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.362 1.465 . . . . 0.0 113.77 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.08 63.93 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 165.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.37 -55.15 14.95 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-N 120.05 1.295 . . . . 0.0 114.41 166.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.32 62.1 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -80.45 63.66 4.98 Favored 'General case' 0 CA--C 1.579 2.07 0 CA-C-O 122.301 1.048 . . . . 0.0 112.211 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.45 -61.27 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 125.264 1.425 . . . . 0.0 111.049 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.74 78.74 0.98 Allowed Glycine 0 N--CA 1.487 2.089 0 CA-C-N 119.527 1.058 . . . . 0.0 114.314 -172.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.81 150.84 21.41 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-O 121.759 0.79 . . . . 0.0 112.919 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -80.15 -69.71 0.57 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.72 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -107.15 112.09 24.83 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.729 1.149 . . . . 0.0 109.528 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.87 97.68 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -108.35 103.51 12.68 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.402 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -110.43 116.11 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -94.94 111.83 23.59 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.271 11.9 mt -100.97 103.48 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 p -90.97 104.94 17.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.783 -0.573 . . . . 0.0 111.973 -177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.36 169.26 9.68 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.47 -33.24 54.69 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.84 158.13 44.59 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 119.759 1.163 . . . . 0.0 111.312 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.59 -47.56 85.08 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.77 -41.09 90.33 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 166.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.52 -41.94 95.44 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.81 82.04 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 163.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -55.54 -49.58 72.27 Favored 'General case' 0 CA--C 1.577 2.007 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 166.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.72 -43.4 85.25 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 171.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.38 -46.29 80.69 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.9 tp -45.22 -54.53 6.86 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 121.114 1.779 . . . . 0.0 115.774 164.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.7 -48.55 77.45 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 168.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -48.7 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.626 1.103 . . . . 0.0 112.421 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.28 -43.64 64.55 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -56.67 -42.43 78.99 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 116.015 1.858 . . . . 0.0 116.015 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.02 -48.63 80.9 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 166.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.1 mt -50.55 -47.69 57.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -57.98 -44.85 87.35 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -62.28 -43.56 98.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 168.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.55 -45.31 93.55 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.52 38.05 3.82 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.82 165.14 25.65 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.721 1.26 . . . . 0.0 113.967 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -111.01 -59.7 1.93 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.361 -0.837 . . . . 0.0 111.823 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.11 106.19 18.32 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.6 107.65 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -117.2 124.78 49.95 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 123.728 0.811 . . . . 0.0 111.568 -175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -106.74 128.22 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.271 -0.893 . . . . 0.0 109.412 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -129.84 104.65 7.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.048 -1.033 . . . . 0.0 109.679 165.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -95.63 105.78 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -92.02 83.95 5.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.479 -0.763 . . . . 0.0 110.076 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.73 -95.55 0.71 Allowed Glycine 0 N--CA 1.49 2.245 0 O-C-N 121.812 -0.555 . . . . 0.0 113.675 -172.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.5 p -110.74 1.38 17.81 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 166.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.0 97.96 7.0 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.595 1.543 . . . . 0.0 110.494 173.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.4 t -87.49 91.18 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -83.32 110.14 17.86 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.447 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.87 104.6 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.557 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -106.97 104.02 13.59 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.42 1.088 . . . . 0.0 109.642 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.1 m -123.46 137.09 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -134.38 161.93 33.62 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 123.15 1.452 . . . . 0.0 112.918 170.689 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.92 1.343 . . . . 0.0 109.025 -163.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.8 tttt . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.45 111.91 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.147 -0.971 . . . . 0.0 111.567 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.22 118.61 18.33 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 123.258 0.623 . . . . 0.0 110.921 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.275 38.0 pt -105.11 94.63 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -103.55 105.34 15.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.64 109.3 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -170.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -97.48 110.6 23.13 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.759 0.79 . . . . 0.0 111.203 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.8 mt -88.93 102.01 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.1 103.83 16.29 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.552 0.692 . . . . 0.0 110.24 -172.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -117.56 157.5 26.23 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.505 0.722 . . . . 0.0 110.89 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -61.91 116.83 5.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.919 -1.113 . . . . 0.0 112.802 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.37 -32.95 6.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 118.411 2.124 . . . . 0.0 118.411 -168.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -136.56 115.21 12.01 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.1 1.95 . . . . 0.0 110.233 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -86.72 111.29 20.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.527 -0.733 . . . . 0.0 109.035 160.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.7 mt -102.91 82.39 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -78.7 112.55 15.93 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.306 1.05 . . . . 0.0 112.514 168.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 pt -108.47 118.35 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.294 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -116.81 98.55 6.57 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 122.245 1.022 . . . . 0.0 113.162 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.48 134.28 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 C-N-CA 124.219 1.008 . . . . 0.0 108.831 -170.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -109.09 99.74 9.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 119.585 -1.947 . . . . 0.0 110.622 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.08 150.99 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 122.818 1.295 . . . . 0.0 114.442 -162.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -87.22 102.92 14.94 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.369 1.068 . . . . 0.0 109.963 167.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.24 87.21 3.07 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -160.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.16 -82.7 0.04 OUTLIER Glycine 0 N--CA 1.487 2.084 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 158.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.04 -30.91 67.22 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 167.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -67.27 -48.5 67.53 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.996 1.725 . . . . 0.0 113.853 168.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -47.33 -55.17 9.31 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -54.92 -49.11 72.09 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -67.85 -43.85 78.53 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.51 73.22 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 166.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 tp -50.93 -47.0 61.11 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.3 -47.01 87.85 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 168.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.15 -37.29 69.43 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.69 -43.04 89.88 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 164.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -51.31 -51.96 49.55 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -54.93 -53.18 58.84 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.23 93.62 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.866 2.172 . . . . 0.0 116.866 172.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.0 -49.31 68.22 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.24 86.54 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -81.79 47.13 1.05 Allowed 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 119.29 0.95 . . . . 0.0 113.487 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.95 -63.9 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.834 1.254 . . . . 0.0 111.599 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.48 67.6 1.79 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.48 143.26 26.92 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -59.64 -47.06 87.08 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -123.44 136.23 54.5 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 119.232 0.924 . . . . 0.0 109.698 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.31 126.03 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.81 -1.181 . . . . 0.0 108.623 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -125.57 103.39 7.84 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.065 0.546 . . . . 0.0 111.116 -167.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.65 114.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -105.31 115.1 29.69 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 118.726 0.694 . . . . 0.0 109.45 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mm -109.73 108.95 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 t -81.22 84.13 6.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.463 -0.773 . . . . 0.0 112.017 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.95 155.28 25.31 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -164.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.42 -42.92 67.68 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -136.03 157.75 46.07 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.155 0.982 . . . . 0.0 111.062 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -57.48 -42.68 83.1 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.662 2.467 . . . . 0.0 117.662 172.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.67 -45.42 89.45 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 169.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.05 -43.94 87.14 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 165.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.54 67.24 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 168.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -47.61 85.01 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 121.07 1.759 . . . . 0.0 115.411 165.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.73 -46.11 84.88 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 170.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.4 -49.57 76.33 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.33 -53.29 17.96 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 167.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.51 -48.86 80.02 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.85 -45.36 82.47 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.06 -48.56 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-N 120.189 1.359 . . . . 0.0 112.837 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.48 76.38 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -49.87 -46.35 51.43 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 163.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.79 -54.0 51.34 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 90' ' ' VAL . 4.3 mm? -70.54 -34.27 72.07 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 161.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -43.79 76.25 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 165.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.5 -5.8 26.43 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.42 -1.81 56.01 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 119.78 2.672 . . . . 0.0 119.78 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.444 ' CD2' HG23 ' A' ' 90' ' ' VAL . 42.9 m-85 -81.56 154.04 26.43 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 119.963 1.882 . . . . 0.0 113.366 -172.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.85 -67.27 1.0 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -161.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.6 83.43 7.89 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.751 1.16 . . . . 0.0 110.382 -166.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.0 mt -86.92 98.76 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -166.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -86.43 100.51 12.4 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.737 0.815 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.02 106.43 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -126.01 80.74 1.93 Allowed 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.24 110.71 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 109.743 -171.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -88.14 78.28 8.15 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.58 0.705 . . . . 0.0 111.047 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.44 -96.98 0.84 Allowed Glycine 0 N--CA 1.492 2.414 0 O-C-N 121.504 -0.747 . . . . 0.0 113.841 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.9 p -99.01 -7.49 26.78 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 163.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.04 100.26 6.43 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.919 1.691 . . . . 0.0 112.624 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -84.18 93.04 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -100.91 102.28 13.28 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.31 0.576 . . . . 0.0 110.06 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -106.73 103.96 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -170.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.71 119.59 39.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.533 0.733 . . . . 0.0 110.523 -176.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 74' ' ' TYR . 26.5 m -128.67 139.63 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.881 -0.512 . . . . 0.0 111.928 -164.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -103.59 154.68 19.23 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.171 -0.956 . . . . 0.0 112.897 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 122.483 1.135 . . . . 0.0 110.068 173.638 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.416 55.9 tptt . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.81 99.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -101.73 154.18 19.13 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.814 1.293 . . . . 0.0 111.782 163.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 50' ' ' ILE . 44.1 pt -126.67 88.7 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.456 -171.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 m -92.75 94.08 8.79 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mm -118.37 112.34 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.055 -1.028 . . . . 0.0 108.383 -162.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -106.4 119.06 38.27 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.148 1.34 . . . . 0.0 111.099 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.61 100.17 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -98.47 123.85 42.85 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.774 0.797 . . . . 0.0 111.64 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -122.47 64.35 0.95 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 122.87 0.468 . . . . 0.0 110.876 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.47 83.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.08 -52.3 4.6 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 -168.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.02 94.16 1.85 Allowed 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.753 0.821 . . . . 0.0 112.117 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.283 22.1 pt-20 -110.88 123.38 50.01 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.261 1.029 . . . . 0.0 113.41 176.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.73 122.51 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.29 152.6 47.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -162.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 pt -122.69 148.29 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.566 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -147.75 102.75 3.45 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 pt -158.47 112.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 121.218 -0.926 . . . . 0.0 110.678 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.266 38.8 ptt180 -77.14 129.3 35.81 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.17 91.44 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.773 0.829 . . . . 0.0 110.75 -162.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.1 p -72.65 91.82 1.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.705 -1.247 . . . . 0.0 112.765 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -144.7 147.63 33.24 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.817 -154.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -88.75 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 O-C-N 121.846 -0.533 . . . . 0.0 112.285 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -93.77 52.01 1.63 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.77 -53.43 0.93 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.539 1.136 . . . . 0.0 110.505 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.68 -32.86 31.48 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 155.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -40.96 -50.05 3.27 Favored 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 156.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -43.35 68.16 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.15 96.92 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.76 -36.07 75.89 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 166.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -62.12 -38.21 88.04 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 165.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.52 -38.4 77.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 163.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.1 mt -56.23 -46.24 79.61 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 122.291 2.314 . . . . 0.0 114.77 165.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -47.32 -56.61 6.5 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 164.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.53 -43.61 89.46 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.43 59.53 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 168.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -52.97 -48.19 67.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 165.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.64 -51.89 20.84 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -51.7 -44.8 63.29 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.87 -26.88 21.39 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.38 1.35 Allowed Glycine 0 N--CA 1.489 2.191 0 CA-C-N 119.796 1.18 . . . . 0.0 115.353 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.24 114.2 21.65 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.19 -52.17 17.8 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 172.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -142.81 127.99 18.66 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 119.674 1.124 . . . . 0.0 110.971 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.3 t -130.51 129.62 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -165.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.24 102.1 11.81 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 69' ' ' LEU . 4.2 mp -95.01 107.72 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -116.81 108.07 15.4 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 118.866 0.757 . . . . 0.0 110.268 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 4' ' ' ILE . 10.9 mm -101.7 110.73 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -79.94 93.34 5.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.697 -0.627 . . . . 0.0 111.04 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.56 160.17 14.54 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -168.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.17 -42.41 59.93 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -141.52 160.82 39.35 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.976 0.91 . . . . 0.0 111.119 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.74 -47.5 76.83 Favored 'General case' 0 CA--C 1.577 2.004 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.57 -46.24 84.21 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.79 -49.1 77.75 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 166.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.55 80.67 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -53.33 -53.88 44.58 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -65.15 -42.6 93.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.24 -49.63 73.61 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 165.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 tt -48.81 -58.85 4.16 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.06 -46.74 82.22 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 172.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.39 -47.57 66.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 168.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 mt -61.79 -48.83 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 119.642 1.11 . . . . 0.0 112.896 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.4 71.54 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -55.01 -47.95 73.99 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 164.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.46 -50.49 73.37 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD11 HD13 ' A' ' 48' ' ' ILE . 57.0 mt -69.76 -33.68 72.75 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -59.39 -41.88 90.41 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 158.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.7 -46.98 77.57 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.18 -46.57 80.26 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 50.88 0.24 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -107.99 100.09 9.47 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.39 -32.71 58.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -96.56 107.1 19.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.948 1.249 . . . . 0.0 109.127 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.05 108.28 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -166.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -86.05 102.94 14.27 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 121.061 -1.024 . . . . 0.0 110.161 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.15 105.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 123.818 0.847 . . . . 0.0 109.211 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -131.1 108.44 9.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.231 -0.918 . . . . 0.0 110.1 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.99 113.83 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 120.966 -1.084 . . . . 0.0 109.95 157.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -95.91 84.77 3.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.077 -1.014 . . . . 0.0 109.479 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.49 -95.5 0.88 Allowed Glycine 0 N--CA 1.49 2.285 0 O-C-N 121.756 -0.59 . . . . 0.0 112.712 -167.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.8 p -114.89 0.51 13.77 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 164.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.11 104.78 7.8 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 121.316 1.871 . . . . 0.0 109.947 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.64 90.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.748 -1.22 . . . . 0.0 108.858 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.17 96.99 7.57 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.348 0.659 . . . . 0.0 110.27 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mm -107.44 112.74 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -115.1 110.12 19.06 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.629 0.771 . . . . 0.0 109.934 -171.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.69 150.85 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 133.66 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 172.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 175.635 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.5 102.88 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -110.49 114.85 28.59 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 170.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mp -105.92 106.25 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 119.289 0.95 . . . . 0.0 108.922 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -97.82 113.74 25.61 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.349 1.06 . . . . 0.0 109.463 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mm -116.91 100.0 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -99.47 95.74 7.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.764 -0.585 . . . . 0.0 111.185 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.74 99.07 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -103.76 87.54 2.84 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.896 0.878 . . . . 0.0 109.111 -170.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -88.22 75.63 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -171.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.6 OUTLIER 57.9 65.02 1.39 Allowed 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.28 34.74 50.4 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 118.731 2.252 . . . . 0.0 118.731 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -154.24 106.74 2.81 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.461 1.63 . . . . 0.0 110.084 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.81 107.33 19.13 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.439 1.096 . . . . 0.0 113.475 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -92.94 96.51 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -102.11 109.15 20.79 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -100.18 89.83 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.76 102.99 12.17 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.763 0.825 . . . . 0.0 109.565 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 pt -131.23 144.64 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 122.109 0.957 . . . . 0.0 112.76 -163.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.69 111.76 22.35 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.077 0.951 . . . . 0.0 109.464 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.68 83.43 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.381 -0.824 . . . . 0.0 110.663 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 t -83.98 72.87 10.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.467 -1.396 . . . . 0.0 114.249 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -166.1 120.82 1.18 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -165.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 33.88 0.98 Allowed Glycine 0 N--CA 1.497 2.734 0 N-CA-C 121.394 3.318 . . . . 0.0 121.394 -169.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -142.0 -37.59 0.4 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.441 1.097 . . . . 0.0 112.775 164.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.94 -30.51 70.66 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -56.71 -42.44 79.14 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 160.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.09 -49.12 75.71 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -54.52 -47.18 73.42 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 170.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.4 -51.41 69.5 Favored 'General case' 0 CA--C 1.566 1.575 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 164.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tt -49.83 -43.54 48.89 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.33 -31.29 72.41 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -81.72 -40.64 22.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.52 -42.12 67.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.264 1.1 pt-20 -54.69 -41.88 70.75 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 164.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -63.21 -45.07 93.37 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 170.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.11 95.54 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 166.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.5 -53.45 56.23 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 165.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.3 77.49 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.74 72.45 5.26 Favored 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.472 1.487 . . . . 0.0 112.506 173.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 51.76 54.86 10.22 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.7 73.34 2.68 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 116.316 1.287 . . . . 0.0 116.316 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.59 157.06 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 119.744 3.238 . . . . 0.0 119.744 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -81.71 -11.6 58.98 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 158.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -136.23 125.13 24.12 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.67 1.577 . . . . 0.0 108.714 168.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -128.25 115.0 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -94.62 102.57 14.48 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.016 0.526 . . . . 0.0 110.746 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.55 105.22 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -116.74 107.15 14.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.489 -0.757 . . . . 0.0 109.431 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 17.1 tt -110.97 118.41 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 110.533 177.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -84.86 114.76 22.34 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 111.463 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.14 163.52 24.04 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -51.53 11.3 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 163.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -105.4 156.31 18.3 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.535 1.16 . . . . 0.0 112.879 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -55.34 -50.57 69.28 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.417 2.376 . . . . 0.0 117.417 172.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.9 -27.28 65.64 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.3 -37.52 85.87 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.01 1.732 . . . . 0.0 115.162 159.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.1 82.37 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 162.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -58.56 -49.42 77.48 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 163.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -54.63 -44.71 73.4 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 170.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.25 -35.29 79.83 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.56 -54.21 44.21 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.613 1.552 . . . . 0.0 115.022 159.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -53.06 -47.35 68.53 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.38 -53.64 54.05 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.75 -47.36 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-N 119.838 1.199 . . . . 0.0 113.352 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.21 -46.05 65.49 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.52 -46.84 76.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.58 -52.84 63.96 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.29 -41.49 97.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -57.63 -50.08 74.35 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 163.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.41 -43.64 79.54 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.6 -33.45 75.96 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -97.48 109.96 22.61 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.941 1.371 . . . . 0.0 109.807 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -85.05 -43.69 13.69 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -164.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -81.48 118.04 22.4 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 119.798 1.181 . . . . 0.0 109.715 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.1 mt -128.81 104.59 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -171.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -97.86 103.27 15.19 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.226 1.01 . . . . 0.0 110.93 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.0 t -97.63 123.16 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 123.391 0.676 . . . . 0.0 110.971 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -130.84 98.02 4.5 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.09 163.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.35 104.11 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -90.52 60.13 4.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.167 -0.958 . . . . 0.0 112.698 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.22 -76.98 0.59 Allowed Glycine 0 N--CA 1.493 2.468 0 O-C-N 121.008 -1.058 . . . . 0.0 114.948 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 p -95.23 -40.37 9.6 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.43 107.14 13.95 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.497 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -88.83 85.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -91.27 94.73 9.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.507 0.723 . . . . 0.0 109.627 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 69.9 mt -108.99 105.5 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -99.52 120.52 39.78 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.749 0.82 . . . . 0.0 110.437 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.0 m -106.78 134.81 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.629 -0.67 . . . . 0.0 112.607 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.92 150.41 38.54 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 121.733 0.778 . . . . 0.0 112.199 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 173.096 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.0 mttm . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -57.46 96.07 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.702 1.201 . . . . 0.0 114.047 -164.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.22 115.54 30.36 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mm -85.5 103.37 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.1 m -102.4 100.45 10.59 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.75 95.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -87.45 98.74 11.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.679 -0.638 . . . . 0.0 109.321 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.5 92.0 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.14 111.97 21.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.971 0.891 . . . . 0.0 110.833 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -88.55 -178.37 5.82 Favored 'General case' 0 CA--C 1.576 1.963 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.56 150.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.78 97.82 1.85 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 119.623 -1.923 . . . . 0.0 113.143 -166.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.81 41.65 97.43 Favored Glycine 0 CA--C 1.553 2.441 0 N-CA-C 117.847 1.899 . . . . 0.0 117.847 -162.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.8 94.97 1.6 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 118.822 1.311 . . . . 0.0 111.265 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -100.05 101.35 12.4 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.552 0.741 . . . . 0.0 111.257 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.14 103.33 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -109.93 127.65 54.88 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -169.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -129.9 124.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.77 120.36 41.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 123.399 0.68 . . . . 0.0 111.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mm -124.68 110.97 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.469 -0.769 . . . . 0.0 109.755 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -85.24 117.12 23.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.907 -1.12 . . . . 0.0 112.53 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.35 68.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-O 121.618 0.723 . . . . 0.0 112.175 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.429 ' OG ' ' OE2' ' A' ' 53' ' ' GLU . 40.0 t -109.85 85.54 2.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.696 -1.252 . . . . 0.0 109.997 169.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.348 1.8 t -152.37 -97.17 0.05 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.462 -166.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.56 -117.88 0.89 Allowed Glycine 0 N--CA 1.491 2.361 0 CA-C-N 121.606 2.003 . . . . 0.0 114.376 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -81.0 70.86 7.92 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 122.265 1.031 . . . . 0.0 111.573 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -149.65 -54.71 0.17 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 124.383 1.073 . . . . 0.0 110.388 -159.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -52.95 -32.91 48.5 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 164.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.05 -50.58 70.56 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 164.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -62.77 -43.36 99.02 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 171.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.32 -52.09 66.76 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 166.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.07 -44.23 67.35 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -58.88 -52.24 66.59 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -62.96 -36.03 82.11 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.34 -41.27 80.96 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 171.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.79 -55.75 10.63 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 120.133 1.333 . . . . 0.0 114.536 161.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -53.39 -37.79 62.79 Favored 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 167.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.53 88.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.16 -43.84 82.92 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 167.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.45 96.39 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 167.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -60.84 -42.23 97.37 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 166.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.56 66.56 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.0 75.56 0.85 Allowed Glycine 0 N--CA 1.492 2.406 0 CA-C-N 119.83 1.196 . . . . 0.0 114.319 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.43 137.56 32.6 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -167.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.16 -48.92 7.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -130.81 121.17 24.86 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 119.095 0.861 . . . . 0.0 109.429 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.27 106.05 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -91.55 90.24 7.53 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.346 0.594 . . . . 0.0 109.428 168.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -89.66 120.86 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 m -112.43 110.55 20.81 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 tt -97.72 105.71 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -81.19 85.44 6.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.0 111.72 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 149.88 26.33 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' OE2' ' OG ' ' A' ' 22' ' ' SER . 8.0 pt-20 -88.95 -22.81 22.87 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 -174.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -136.54 159.98 40.17 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 120.035 1.289 . . . . 0.0 110.932 173.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -56.84 -48.98 76.81 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -60.88 -47.51 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -59.45 -42.82 92.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.14 71.07 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 164.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.43 -47.44 81.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 168.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.12 -49.87 75.47 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.35 -39.84 94.68 Favored 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -46.82 -56.42 6.3 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 160.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.52 -46.8 88.83 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.46 -50.44 69.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 171.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.91 -49.76 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-N 119.463 1.029 . . . . 0.0 112.87 171.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.63 83.17 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -64.22 -43.54 94.66 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 120.97 1.714 . . . . 0.0 114.927 164.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.44 -53.41 51.77 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 171.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -29.73 61.73 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -62.0 -47.6 84.05 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.485 1.493 . . . . 0.0 114.502 161.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -52.16 -46.53 65.52 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 166.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.3 5.97 15.63 Favored 'General case' 0 CA--C 1.578 2.046 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 176.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.36 42.76 11.3 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -119.2 96.32 5.17 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.2 1.0 . . . . 0.0 108.562 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -83.73 -40.82 18.37 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 -163.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -84.73 89.1 7.43 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 120.59 1.541 . . . . 0.0 110.609 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -99.03 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -166.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -111.11 101.11 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.488 0.661 . . . . 0.0 109.933 -170.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.62 131.66 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -126.5 118.57 25.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.537 -0.727 . . . . 0.0 109.29 160.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.2 t -91.26 115.58 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -86.55 75.47 9.72 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.191 -0.943 . . . . 0.0 111.126 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.2 -84.17 0.61 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.369 -0.832 . . . . 0.0 114.239 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.5 p -105.72 -23.41 12.74 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 167.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -82.05 115.29 21.12 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 120.415 1.461 . . . . 0.0 111.33 -167.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -91.79 105.38 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 121.109 -0.994 . . . . 0.0 109.11 -169.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -93.28 93.07 8.01 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.065 0.546 . . . . 0.0 110.645 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.4 mt -91.42 113.8 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.846 0.831 . . . . 0.0 108.771 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -103.38 104.07 14.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.99 0.916 . . . . 0.0 110.018 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.5 m -103.11 114.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.398 0.618 . . . . 0.0 110.969 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -106.47 132.59 52.31 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.453 0.701 . . . . 0.0 111.059 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.42 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -133.06 95.7 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.03 112.16 19.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.515 -0.741 . . . . 0.0 110.299 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.0 mt -96.93 84.44 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -100.16 106.27 17.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.94 0.876 . . . . 0.0 108.93 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 mm -116.04 100.11 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -167.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -98.3 103.65 15.62 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 122.236 1.017 . . . . 0.0 110.211 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -87.51 94.86 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.31 98.55 5.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.492 1.139 . . . . 0.0 109.698 168.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.73 72.89 1.14 Allowed 'General case' 0 CA--C 1.567 1.628 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.468 -168.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.279 5.9 m-20 52.7 61.9 2.96 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.71 31.83 14.62 Favored Glycine 0 CA--C 1.553 2.435 0 N-CA-C 118.761 2.264 . . . . 0.0 118.761 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -162.39 106.85 1.17 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.686 1.743 . . . . 0.0 110.484 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.256 1.9 pm0 -84.02 118.88 24.34 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 119.596 1.089 . . . . 0.0 113.211 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.66 101.75 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -78.67 121.87 25.24 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.295 1.045 . . . . 0.0 113.581 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -112.65 100.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -103.3 77.89 1.56 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 122.919 1.342 . . . . 0.0 112.945 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 pt -99.22 81.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-O 122.159 0.981 . . . . 0.0 110.653 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 127.39 33.02 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -120.43 157.02 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 121.898 0.856 . . . . 0.0 112.841 -162.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -89.27 18.39 5.18 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 164.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.433 42.0 p 75.41 -121.4 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 125.382 1.473 . . . . 0.0 112.088 -174.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 35.82 60.26 0.83 Allowed Glycine 0 N--CA 1.502 3.08 0 N-CA-C 121.802 3.481 . . . . 0.0 121.802 173.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.324 57.5 mttm 64.62 -9.43 0.18 Allowed 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.291 3.071 . . . . 0.0 119.291 -168.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.36 -44.61 94.31 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.903 1.683 . . . . 0.0 114.26 165.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.41 -41.62 72.98 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.02 -53.84 53.48 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -52.95 -52.04 59.33 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.13 32.74 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 175.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 tp -53.6 -44.75 69.69 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.09 -49.2 73.21 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -72.63 -36.42 68.02 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.37 -43.5 88.45 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 167.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -49.87 -50.69 44.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -60.56 -52.0 67.03 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.92 99.12 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.51 -48.72 78.5 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 170.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.98 85.54 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 170.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -69.45 -42.97 74.23 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.12 -31.3 70.8 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.83 72.7 1.05 Allowed Glycine 0 N--CA 1.488 2.159 0 CA-C-N 119.729 1.15 . . . . 0.0 114.427 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.43 120.56 35.89 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -58.07 3.5 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.02 114.8 29.22 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.27 96.43 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.51 90.17 8.14 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 123.381 0.673 . . . . 0.0 110.486 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.3 mt -91.71 105.79 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -112.89 107.63 16.28 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.0 105.27 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -92.28 101.69 14.18 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.728 0.775 . . . . 0.0 111.646 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.17 160.88 13.95 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -170.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -61.86 -50.88 70.49 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -130.5 161.63 31.03 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 123.152 1.453 . . . . 0.0 110.66 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -58.13 -38.78 77.19 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 170.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -54.66 -50.07 69.08 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 166.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -55.86 -52.07 65.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 165.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.72 -41.08 66.65 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.543 2.424 . . . . 0.0 117.543 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.29 -55.64 32.25 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.37 -41.6 89.69 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.53 -48.76 79.58 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.9 tp -44.7 -53.22 7.52 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 162.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.21 -46.41 89.04 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -56.19 -48.87 75.52 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -61.65 -52.31 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 CA-C-N 119.538 1.063 . . . . 0.0 112.891 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.23 -46.17 69.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 171.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.2 -45.44 87.58 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 166.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -56.61 -52.05 66.35 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 169.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.81 -33.77 62.27 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -56.29 -45.81 80.05 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 157.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.42 -46.77 88.73 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.06 -45.37 95.05 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.99 56.73 0.25 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 115.828 1.091 . . . . 0.0 115.828 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -112.38 148.26 34.67 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.566 0.698 . . . . 0.0 111.357 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.02 -46.33 2.53 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.32 84.43 7.63 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 120.584 1.538 . . . . 0.0 110.065 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.8 mt -100.73 105.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -167.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.54 91.64 3.73 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.704 0.764 . . . . 0.0 109.645 -170.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.97 123.87 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.626 0 C-N-CA 123.714 0.806 . . . . 0.0 112.16 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -140.0 91.27 2.45 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.66 120.69 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 112.021 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.34 70.75 5.19 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.304 -0.873 . . . . 0.0 110.635 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.47 -81.75 0.6 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.794 -1.192 . . . . 0.0 114.401 -168.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.8 p -112.72 -2.99 14.33 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.15 97.08 10.13 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.41 1.459 . . . . 0.0 110.502 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.3 84.87 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.57 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -81.83 104.63 12.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.868 -0.52 . . . . 0.0 110.131 170.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.99 103.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 165.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -93.82 109.78 21.45 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 122.772 0.429 . . . . 0.0 110.116 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.8 m -104.94 131.09 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.485 0.66 . . . . 0.0 111.272 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -111.19 140.16 45.98 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 122.848 1.308 . . . . 0.0 108.975 174.041 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.29 86.0 mttt . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 t -130.76 70.3 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.688 1.131 . . . . 0.0 108.482 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 99.49 10.12 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.6 pt -94.49 102.05 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 124.053 0.941 . . . . 0.0 109.777 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -85.08 98.83 10.66 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.807 0.843 . . . . 0.0 109.301 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -109.74 97.52 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -107.54 110.97 23.02 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.697 0.761 . . . . 0.0 109.349 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.22 102.67 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -168.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -80.98 105.27 12.08 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.579 -0.7 . . . . 0.0 112.448 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -93.64 71.35 4.24 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.8 OUTLIER 50.22 88.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.618 1.567 . . . . 0.0 114.798 -168.462 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 -44.96 3.14 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 -167.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -81.44 92.65 6.49 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.052 0.941 . . . . 0.0 112.634 -169.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -68.9 94.34 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 123.423 0.689 . . . . 0.0 111.514 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 mm -88.08 105.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -101.23 112.45 24.94 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -164.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.31 89.24 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.621 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 97.59 7.41 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.347 0.659 . . . . 0.0 109.415 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 pt -138.66 148.84 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.7 0.762 . . . . 0.0 112.413 -163.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.12 103.13 15.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 0.0 110.845 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.13 54.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 CA-C-O 121.536 0.684 . . . . 0.0 112.442 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.0 p -90.53 76.55 6.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.377 -1.452 . . . . 0.0 112.039 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.1 114.78 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -166.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.65 139.98 39.99 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 116.396 1.318 . . . . 0.0 116.396 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.327 0.0 OUTLIER 70.94 -53.17 0.68 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -170.248 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -48.82 -42.72 37.03 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.269 1.4 pt? -56.27 -34.59 66.58 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 172.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -63.94 -44.52 92.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -55.41 -45.01 76.71 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.09 79.07 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 165.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.8 tp -49.63 -45.02 47.84 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.83 -48.59 79.86 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 172.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.06 -41.68 98.39 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 167.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.6 mt -62.1 -45.08 95.09 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -49.36 70.87 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 166.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -59.72 -43.27 94.23 Favored 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 169.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.65 71.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.29 -36.92 76.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 161.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -42.33 69.81 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 163.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -73.13 65.82 0.82 Allowed 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 120.929 1.695 . . . . 0.0 112.98 167.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.76 -63.65 0.09 Allowed 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.32 76.62 0.65 Allowed Glycine 0 N--CA 1.492 2.423 0 CA-C-N 119.247 0.93 . . . . 0.0 113.601 -164.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.29 143.05 45.85 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -165.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -102.79 -56.08 2.31 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.41 171.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.53 113.69 27.03 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 120.574 1.534 . . . . 0.0 110.167 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.26 98.94 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.01 109.94 18.86 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.394 0.616 . . . . 0.0 112.512 -171.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -106.43 109.61 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -106.84 110.37 22.52 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 118.304 0.502 . . . . 0.0 110.176 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.0 112.92 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.574 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -91.89 120.68 32.8 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.114 0.565 . . . . 0.0 112.013 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.63 171.84 7.91 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.91 -46.36 36.41 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.569 -1.332 . . . . 0.0 114.235 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -125.33 173.08 9.08 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 124.663 1.185 . . . . 0.0 110.079 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.03 -47.65 84.45 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 170.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.72 -39.7 85.53 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -54.66 -51.43 65.49 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 166.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.91 90.49 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 169.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -61.46 -41.61 97.49 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.9 -45.21 78.68 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 167.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.8 -34.94 78.33 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.97 -51.36 30.9 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 160.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.74 -54.14 50.44 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 119.206 0.912 . . . . 0.0 113.339 168.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.37 -49.77 71.44 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 mt -66.16 -50.2 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 CA-C-N 119.869 1.213 . . . . 0.0 112.274 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.53 76.01 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -49.22 -43.83 42.9 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 164.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.36 -52.03 66.36 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 167.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.88 -38.32 79.59 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -38.12 88.37 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 164.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -57.32 -40.88 78.85 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.45 -52.91 63.19 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 120.15 1.341 . . . . 0.0 114.546 161.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.59 0.55 Allowed Glycine 0 N--CA 1.486 1.981 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.3 131.53 35.23 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.697 1.249 . . . . 0.0 111.281 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -90.67 -42.56 10.67 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.22 125.11 29.03 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 119.556 1.071 . . . . 0.0 110.216 166.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.0 mt -135.04 94.73 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.78 117.9 35.82 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.597 0.759 . . . . 0.0 110.405 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.46 112.3 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.277 -0.89 . . . . 0.0 108.771 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -111.93 114.29 27.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.64 -0.662 . . . . 0.0 109.72 171.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 t -100.36 104.51 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -90.9 78.21 6.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.236 -0.915 . . . . 0.0 110.668 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.83 -94.04 0.96 Allowed Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.481 -0.762 . . . . 0.0 113.937 -172.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . 0.262 8.9 t -125.75 49.6 1.93 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 122.738 1.256 . . . . 0.0 112.415 163.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.66 101.47 6.41 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.48 101.43 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -86.39 108.1 18.32 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 165.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.0 mt -98.33 103.15 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.698 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 165.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 105.75 16.75 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.091 1.356 . . . . 0.0 109.071 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.9 142.4 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.588 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -123.85 153.91 40.39 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.574 1.178 . . . . 0.0 110.287 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.495 1.795 0 O-C-N 120.898 -1.126 . . . . 0.0 110.33 -169.87 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tpmp? . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -77.19 90.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 164.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.09 114.09 15.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -166.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.256 45.2 pt -115.24 100.66 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 CA-C-O 121.622 0.725 . . . . 0.0 109.127 -162.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -104.72 93.63 4.85 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.26 99.56 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.306 13.6 ptmm? -105.77 114.05 27.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 122.815 1.293 . . . . 0.0 111.472 -171.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -107.0 104.48 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -158.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -102.12 134.02 46.04 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-O 122.568 1.175 . . . . 0.0 111.821 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -104.32 49.86 0.81 Allowed 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.67 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.296 16.2 m-20 42.55 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -163.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.91 -74.09 0.34 Allowed Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.935 -0.478 . . . . 0.0 113.404 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.84 122.5 26.16 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 117.442 0.621 . . . . 0.0 111.82 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -125.33 107.95 11.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.83 0.852 . . . . 0.0 110.358 -159.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.49 103.65 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.223 -0.923 . . . . 0.0 109.078 -166.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.42 114.23 21.75 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -106.79 101.37 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.14 95.51 5.83 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 121.565 0.698 . . . . 0.0 112.236 -164.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -121.56 148.33 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 C-N-CA 124.385 1.074 . . . . 0.0 109.811 -166.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 139.96 48.57 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 119.5 -2.0 . . . . 0.0 111.039 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.88 76.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-O 121.687 0.756 . . . . 0.0 110.278 -166.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -82.64 41.41 0.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -176.78 152.09 0.94 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.904 -1.123 . . . . 0.0 111.232 -152.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 138.27 35.56 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.092 1.197 . . . . 0.0 116.092 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.476 57.4 mttm 72.59 -20.35 0.27 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 119.93 3.307 . . . . 0.0 119.93 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.55 -48.12 78.8 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.109 1.777 . . . . 0.0 113.495 154.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.28 -46.08 69.16 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 168.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -54.63 44.28 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mtm105 -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.67 72.59 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -53.87 -46.75 71.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.22 -50.82 72.2 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.42 -36.08 73.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.14 -43.09 95.98 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 121.229 1.832 . . . . 0.0 115.174 168.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -50.42 -53.37 29.99 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 162.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -49.81 74.75 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 170.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.99 99.57 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.8 -46.91 87.48 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.57 78.5 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 167.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.71 -47.32 86.8 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 168.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.01 -43.35 62.22 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.53 72.05 1.06 Allowed Glycine 0 N--CA 1.49 2.265 0 CA-C-N 120.123 1.329 . . . . 0.0 115.337 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.34 143.67 33.19 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -96.27 -19.42 19.29 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -169.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -136.78 109.1 7.3 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.833 2.106 . . . . 0.0 110.021 161.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -111.85 111.55 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.385 -0.822 . . . . 0.0 108.945 -165.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -101.18 98.36 8.78 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.311 0.645 . . . . 0.0 110.589 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -89.94 110.29 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -98.06 126.85 43.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.45 111.28 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 170.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 t -73.53 123.69 24.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.945 162.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.13 25.37 Favored 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.98 -20.05 56.55 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 172.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -140.44 167.89 21.08 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 119.979 1.263 . . . . 0.0 110.572 165.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -63.3 -40.59 97.76 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 168.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.14 -40.92 82.53 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 164.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -56.84 -47.2 80.88 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 162.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -39.29 65.04 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -57.68 -54.1 50.72 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 166.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.99 -41.54 90.94 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.54 -40.46 94.74 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.67 -50.23 55.25 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 162.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.14 -43.28 99.17 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 mt -55.21 -37.76 67.55 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.786 2.084 . . . . 0.0 116.088 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.86 -58.97 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 CA-C-N 119.928 1.24 . . . . 0.0 111.614 165.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.15 71.04 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 169.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.97 -52.46 60.6 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 121.572 1.987 . . . . 0.0 114.985 160.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 90' ' ' VAL . 77.6 mt -59.94 -44.79 94.14 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -62.05 -42.92 99.69 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 165.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -48.2 80.35 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.96 -37.51 85.0 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.55 43.95 3.82 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -76.12 143.16 41.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.388 1.094 . . . . 0.0 111.914 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -56.37 3.08 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.18 85.62 3.25 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 121.347 0.594 . . . . 0.0 109.702 -163.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.02 111.18 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -164.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -112.21 119.55 38.73 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 123.917 0.887 . . . . 0.0 110.484 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.08 132.31 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -134.83 89.98 2.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.13 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.58 99.8 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.2 73.48 2.19 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 121.549 0.69 . . . . 0.0 109.72 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.27 -99.35 0.63 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.6 p -92.82 -19.96 21.2 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.68 105.22 6.6 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 120.032 1.287 . . . . 0.0 110.952 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.69 97.56 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -114.49 105.23 12.85 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.044 0.538 . . . . 0.0 110.234 -171.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -112.51 112.14 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -91.8 123.9 35.53 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.22 0.608 . . . . 0.0 110.127 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 69' ' ' LEU . 35.6 m -118.21 124.2 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.606 -0.684 . . . . 0.0 112.208 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -95.26 147.48 23.43 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.36 1.076 . . . . 0.0 113.076 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.625 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.5 t -122.78 73.87 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.26 98.84 10.05 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.525 0.679 . . . . 0.0 110.214 -166.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -83.19 103.75 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -101.09 103.79 14.89 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.92 127.91 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 14.3 ptpt -125.81 131.53 52.43 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.286 1.041 . . . . 0.0 113.706 160.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.0 mt -110.62 89.55 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -163.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.283 0.1 OUTLIER -87.74 121.1 29.75 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.522 1.056 . . . . 0.0 110.958 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -120.01 -134.63 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.237 1.015 . . . . 0.0 110.782 -169.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.77 90.62 1.87 Allowed 'General case' 0 CA--C 1.572 1.802 0 O-C-N 120.959 -1.088 . . . . 0.0 111.071 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.87 27.09 63.88 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 120.515 2.966 . . . . 0.0 120.515 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -163.5 132.99 4.09 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 119.299 1.55 . . . . 0.0 110.065 -161.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.05 132.34 54.45 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.75 112.67 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.24 128.73 53.57 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.8 mm -136.83 112.82 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.85 126.33 52.05 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.356 0.98 . . . . 0.0 111.068 164.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.91 116.44 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.341 -0.849 . . . . 0.0 109.657 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.43 103.56 15.47 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.341 0.656 . . . . 0.0 112.444 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.2 m -116.43 78.56 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.558 0.694 . . . . 0.0 110.058 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -71.06 86.76 0.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -153.13 141.41 20.57 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.178 -154.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.28 -61.82 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.61 3.77 10.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.261 24.4 mm-40 -84.61 -17.75 37.71 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.541 1.973 . . . . 0.0 116.128 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.92 -30.09 32.31 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 158.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.06 -49.16 3.38 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 164.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HD2' ' H ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -67.21 -49.46 64.48 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.91 81.14 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 167.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.78 -42.33 79.23 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -68.07 -38.65 82.65 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 167.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -58.43 -43.59 88.78 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 120.741 1.61 . . . . 0.0 115.296 165.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.04 -42.33 98.28 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 165.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -54.03 51.41 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -43.35 -53.11 5.5 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 163.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.59 81.05 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.37 -50.88 72.06 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.05 -42.82 86.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -68.54 -34.52 75.99 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 169.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.53 -51.95 20.81 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.69 76.51 0.73 Allowed Glycine 0 N--CA 1.493 2.47 0 CA-C-N 119.831 1.196 . . . . 0.0 115.424 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.3 155.34 24.23 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -167.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtp-105 -75.83 -72.49 0.31 Allowed 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -118.83 98.41 6.19 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.43 111.07 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 -169.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -83.3 98.35 9.38 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.758 0.423 . . . . 0.0 110.252 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.501 HD12 HD21 ' A' ' 69' ' ' LEU . 42.1 mt -91.76 110.61 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 167.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.5 m -116.24 144.52 44.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.69 0.796 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.13 118.06 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.351 -0.843 . . . . 0.0 108.92 162.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.3 t -81.57 94.77 6.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.936 -0.477 . . . . 0.0 110.759 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.43 165.24 15.05 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.52 -44.36 74.8 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -133.21 160.76 36.31 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.123 0.963 . . . . 0.0 111.536 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -58.83 -43.48 90.68 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 169.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.36 -41.42 93.64 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.14 -49.72 75.04 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -29.83 40.85 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 168.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -59.49 4.44 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.017 1.735 . . . . 0.0 113.705 171.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -68.71 -27.31 65.83 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 171.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.57 -39.03 91.19 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-N 121.613 2.006 . . . . 0.0 115.397 163.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.12 -58.21 6.04 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 162.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.71 -44.37 96.67 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 170.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.48 -45.96 66.35 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 122.463 2.392 . . . . 0.0 115.964 170.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.73 -53.86 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.077 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.736 168.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.11 -45.72 68.39 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-N 122.129 2.24 . . . . 0.0 117.045 174.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -51.44 -46.62 63.05 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 166.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.64 -55.0 40.49 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.618 HD22 HG11 ' A' ' 90' ' ' VAL . 66.4 mt -56.84 -41.16 77.38 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.66 -40.5 97.24 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 168.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.62 -41.94 77.96 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 165.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.98 39.46 3.55 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 116.959 1.543 . . . . 0.0 116.959 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.17 146.19 23.85 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.744 0.783 . . . . 0.0 111.607 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.98 -51.12 3.1 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -86.92 93.46 9.33 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 120.263 1.392 . . . . 0.0 108.588 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -88.81 87.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -94.37 87.97 5.37 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 122.046 0.926 . . . . 0.0 110.74 -163.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.13 121.86 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 123.531 0.732 . . . . 0.0 111.467 -164.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -128.46 99.42 5.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 63.0 t -91.41 103.46 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.125 -0.984 . . . . 0.0 108.796 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -99.39 82.62 2.7 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.701 0.762 . . . . 0.0 109.959 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.32 -104.64 1.47 Allowed Glycine 0 N--CA 1.49 2.266 0 O-C-N 121.645 -0.659 . . . . 0.0 113.84 -171.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 p -104.18 -0.95 27.88 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.27 114.55 6.07 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.246 1.839 . . . . 0.0 111.267 162.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -93.84 75.08 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -91.12 96.99 10.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.857 -1.152 . . . . 0.0 111.192 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.8 mt -106.71 106.37 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -85.22 110.59 19.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 170.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.618 HG11 HD22 ' A' ' 69' ' ' LEU . 18.3 m -96.61 137.91 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.4 -0.813 . . . . 0.0 113.156 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -128.4 140.19 51.98 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.511 0.672 . . . . 0.0 110.598 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 120.946 -1.096 . . . . 0.0 109.237 -171.247 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.925 0 CA-C-O 121.797 0.808 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 50' ' ' ILE . 23.4 t -70.99 95.86 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.706 -1.246 . . . . 0.0 110.529 175.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.29 84.47 6.86 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.55 0.69 . . . . 0.0 109.609 170.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.85 111.58 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.9 p -110.91 114.58 28.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -172.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.44 98.26 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -90.09 101.92 14.63 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 121.844 -0.535 . . . . 0.0 109.565 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.62 107.67 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -98.7 118.51 35.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.423 -0.798 . . . . 0.0 111.308 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 82.32 1.75 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 25.92 64.19 0.07 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.84 -54.16 0.73 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -163.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -80.25 101.3 8.8 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 118.275 1.038 . . . . 0.0 111.943 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 104.37 16.07 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.378 0.671 . . . . 0.0 110.775 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mm -101.06 99.38 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -174.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -89.9 116.28 27.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.069 0.548 . . . . 0.0 112.001 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.52 110.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.63 147.55 27.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.044 -1.035 . . . . 0.0 112.084 160.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 43.4 pt -126.13 97.8 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 148.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -79.6 95.8 5.98 Favored 'General case' 0 CA--C 1.569 1.7 0 CA-C-O 121.847 0.832 . . . . 0.0 112.829 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -116.96 128.46 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.529 -0.732 . . . . 0.0 110.487 -158.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -113.52 72.76 0.79 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.285 -0.885 . . . . 0.0 112.743 171.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.3 p -155.23 147.61 23.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.906 -0.496 . . . . 0.0 111.463 -165.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.66 -97.33 0.09 OUTLIER Glycine 0 N--CA 1.492 2.389 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -76.38 -10.63 59.55 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.2 -35.75 79.82 Favored 'General case' 0 CA--C 1.575 1.916 0 O-C-N 120.406 -1.434 . . . . 0.0 114.825 160.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.74 -43.79 98.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.84 -52.13 51.6 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 164.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -64.14 -41.56 97.14 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 173.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.66 97.36 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.14 -42.79 91.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 166.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.29 -44.34 75.6 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 165.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.82 -40.36 88.01 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 167.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.93 -43.18 81.21 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -55.28 20.97 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 164.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -50.09 62.48 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 168.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.01 87.9 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 172.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.08 92.72 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -65.15 -39.04 92.42 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.89 6.49 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 64.65 2.63 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.87 149.87 22.47 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.42 -55.63 16.97 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -113.16 126.53 55.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.72 114.85 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -112.47 94.39 4.9 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-O 122.126 0.965 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.16 127.22 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 123.881 0.873 . . . . 0.0 108.682 -167.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.4 m -127.18 117.76 22.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 119.452 1.024 . . . . 0.0 109.456 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -111.17 113.52 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.298 0.639 . . . . 0.0 110.297 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.2 t -76.28 95.34 3.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.567 166.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.6 151.53 23.37 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -70.98 -43.5 67.92 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -126.93 156.05 42.12 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.086 0.954 . . . . 0.0 111.214 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.58 -43.01 89.32 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.62 -40.0 93.27 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 167.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -60.82 -43.82 97.71 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 166.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.78 69.75 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 165.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.44 -54.88 34.91 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.56 -49.12 73.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.89 -39.26 91.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -52.98 -55.44 23.53 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 165.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.19 -44.39 95.12 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 170.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.6 tp -66.28 -46.61 76.41 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.4 -44.93 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-N 120.193 1.361 . . . . 0.0 112.013 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.48 74.39 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 169.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -55.63 -43.52 76.26 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 167.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.53 -52.9 63.01 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 167.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.03 -34.93 78.78 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.01 -47.95 81.5 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 159.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -45.71 84.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.68 -43.86 80.86 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 165.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.74 39.64 2.15 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -92.75 121.3 34.01 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.474 1.137 . . . . 0.0 110.458 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.55 -48.59 10.83 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -89.99 107.66 19.25 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 119.827 1.194 . . . . 0.0 109.218 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mt -116.26 95.95 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -169.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.51 109.0 20.28 Favored 'General case' 0 CA--C 1.566 1.595 0 O-C-N 121.371 -0.831 . . . . 0.0 110.706 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.45 113.25 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.456 -0.778 . . . . 0.0 109.219 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -123.73 76.25 1.41 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.423 0.689 . . . . 0.0 110.712 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.35 126.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.531 -1.356 . . . . 0.0 110.762 -168.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -106.42 84.94 2.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.41 0.624 . . . . 0.0 110.137 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.39 -101.95 1.04 Allowed Glycine 0 N--CA 1.492 2.428 0 O-C-N 121.362 -0.836 . . . . 0.0 114.965 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -97.56 -6.83 32.64 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.33 95.72 4.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.652 1.569 . . . . 0.0 110.192 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.42 103.65 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -98.71 122.38 41.87 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.434 169.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.3 mt -108.31 110.72 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 163.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -102.28 95.38 6.26 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.901 1.28 . . . . 0.0 109.079 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -96.75 141.16 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.264 -0.898 . . . . 0.0 112.826 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.82 143.71 50.93 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 123.481 1.61 . . . . 0.0 108.433 172.38 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.184 0.516 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -75.97 116.17 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.2 -1.563 . . . . 0.0 110.906 -167.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.79 114.18 26.66 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.66 0.784 . . . . 0.0 110.444 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mm -98.03 103.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 164.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -106.14 105.1 14.97 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 119.635 1.107 . . . . 0.0 109.41 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.61 108.87 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -170.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -92.84 104.09 16.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.649 -0.657 . . . . 0.0 109.893 170.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.86 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -95.91 86.71 4.41 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.299 1.047 . . . . 0.0 109.96 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -73.44 -47.83 38.46 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -177.631 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.48 -132.54 0.21 Allowed 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 157.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 42.42 1.16 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 118.052 1.981 . . . . 0.0 118.052 173.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -146.95 102.67 3.55 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.95 119.58 33.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -101.41 107.82 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.48 121.63 27.01 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 122.106 0.955 . . . . 0.0 113.181 173.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -117.37 106.36 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.265 25.7 p-10 -106.41 93.21 4.48 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 122.731 1.253 . . . . 0.0 113.061 -176.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.6 mt -93.39 109.36 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 C-N-CA 124.219 1.008 . . . . 0.0 108.473 -170.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -106.45 127.36 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.808 -0.558 . . . . 0.0 110.701 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.354 60.4 t 88.11 100.0 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 124.766 1.227 . . . . 0.0 108.168 -162.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 m -157.05 88.49 1.03 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.27 7.5 t -106.63 -64.5 1.17 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -166.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.86 -87.28 0.33 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.784 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -59.66 -43.09 94.07 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.46 -32.53 74.0 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 167.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.88 -45.61 89.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 161.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.06 -45.78 82.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 167.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -53.41 -54.36 37.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 169.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -57.27 13.77 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.67 -42.8 89.3 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.13 -41.16 64.28 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -58.99 -44.28 91.6 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.163 1.801 . . . . 0.0 114.818 168.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.15 -51.76 68.01 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 167.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -42.39 98.62 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 173.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -58.29 -49.62 76.49 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.383 1.624 . . . . 0.0 115.383 167.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.97 97.59 Favored 'General case' 0 CA--C 1.569 1.677 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.45 65.61 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.619 1.099 . . . . 0.0 113.958 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.54 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -80.98 50.13 1.34 Allowed 'General case' 0 CA--C 1.58 2.127 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.41 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.65 1.18 . . . . 0.0 111.682 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.47 72.02 1.3 Allowed Glycine 0 N--CA 1.491 2.307 0 CA-C-N 119.265 0.939 . . . . 0.0 114.982 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.43 129.29 37.44 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -66.75 -48.44 69.12 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -131.85 131.52 42.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.64 1.109 . . . . 0.0 111.749 171.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.81 111.95 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -102.53 106.95 17.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.693 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -104.4 111.15 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.7 107.19 19.02 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 162.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -101.42 108.23 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.586 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 171.32 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -88.11 108.3 19.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 111.156 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.61 153.29 22.49 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.58 -34.53 62.91 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -136.54 172.75 12.55 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.906 1.336 . . . . 0.0 113.518 171.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.51 -38.65 87.68 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.03 -40.36 90.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 170.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -51.77 -49.36 62.81 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 158.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.28 -29.28 60.94 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -60.97 -62.2 2.03 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 121.197 1.817 . . . . 0.0 113.621 166.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.85 -37.41 79.2 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.93 -34.57 76.86 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 171.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.12 -54.01 51.8 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 157.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.69 -57.69 11.64 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 116.899 -1.525 . . . . 0.0 114.147 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.6 mt -43.35 -37.52 2.31 Favored 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.1 mt -72.15 -59.45 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.887 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.946 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.7 74.24 Favored 'General case' 0 CA--C 1.58 2.133 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -51.5 -42.26 61.57 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 126.445 1.898 . . . . 0.0 115.882 162.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.8 tp -65.69 -50.7 63.95 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 165.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.76 -38.7 79.03 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.61 -42.22 96.39 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 164.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -63.73 -45.96 87.56 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.59 -47.05 87.91 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.42 51.38 0.58 Allowed Glycine 0 N--CA 1.488 2.156 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -121.67 108.55 13.68 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -66.72 -41.14 88.4 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -95.11 98.84 10.94 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -165.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -115.34 95.66 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -90.96 108.05 19.6 Favored 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 123.693 0.797 . . . . 0.0 110.617 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 62.6 t -104.57 120.47 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.23 0.612 . . . . 0.0 110.281 -167.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.86 111.2 18.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.466 -0.771 . . . . 0.0 109.291 161.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.06 101.45 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -97.45 78.59 2.69 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.685 0.755 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.19 -108.95 2.64 Favored Glycine 0 N--CA 1.492 2.42 0 O-C-N 121.492 -0.755 . . . . 0.0 113.612 -168.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.6 p -98.46 -5.55 32.18 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.76 104.72 4.06 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.176 1.353 . . . . 0.0 110.922 168.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.4 t -94.14 100.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.25 110.94 23.35 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 121.408 0.623 . . . . 0.0 110.508 -174.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.6 mm -111.87 107.27 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -171.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.7 115.89 29.72 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.695 1.236 . . . . 0.0 110.53 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.92 142.45 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.822 0.849 . . . . 0.0 110.906 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -132.02 157.13 44.91 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-O 122.019 0.914 . . . . 0.0 110.757 160.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.497 1.923 0 O-C-N 120.444 -1.41 . . . . 0.0 107.493 168.253 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.3 t -121.57 89.53 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 167.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.12 102.52 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 161.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.47 107.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.672 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 172.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -115.27 105.13 12.52 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -156.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.41 110.37 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.44 -158.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -95.27 102.12 13.9 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.191 0.519 . . . . 0.0 109.78 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.2 mt -93.2 100.64 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.62 114.14 27.01 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.9 0.857 . . . . 0.0 110.705 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.53 55.69 3.67 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 121.485 -0.76 . . . . 0.0 111.22 171.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.26 5.4 t70 56.58 83.71 0.1 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.102 1.361 . . . . 0.0 112.962 -165.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 -54.04 4.84 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.934 1.534 . . . . 0.0 116.934 -168.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -65.43 111.55 3.12 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -110.5 139.89 45.31 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -159.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.2 mt -133.01 117.5 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 162.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -85.19 128.51 34.7 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.3 0.572 . . . . 0.0 112.015 164.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.5 mt -122.16 117.44 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -91.33 103.31 15.98 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.78 91.73 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.601 -1.312 . . . . 0.0 108.764 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -103.04 111.73 24.22 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.456 1.102 . . . . 0.0 112.453 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.56 140.86 47.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.995 0 C-N-CA 123.845 0.858 . . . . 0.0 110.196 -162.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -135.9 105.61 6.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 109.671 167.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 t -154.96 -174.43 4.98 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.94 0.876 . . . . 0.0 112.751 -168.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.04 -93.61 0.6 Allowed Glycine 0 N--CA 1.49 2.253 0 O-C-N 121.252 -0.905 . . . . 0.0 112.657 159.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -82.98 -32.9 26.78 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.18 -8.95 1.23 Allowed 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 121.282 3.808 . . . . 0.0 121.282 -156.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.4 -51.72 18.99 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 151.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -29.92 -56.86 0.18 Allowed 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 164.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -73.79 -39.13 64.35 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.88 97.71 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 164.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.79 -37.55 79.41 Favored 'General case' 0 CA--C 1.576 1.962 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -64.01 -31.9 73.25 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 164.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -67.81 -37.62 82.21 Favored 'General case' 0 CA--C 1.576 1.977 0 O-C-N 120.035 -1.666 . . . . 0.0 114.727 160.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.46 -44.53 92.98 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -56.84 -48.73 77.36 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-N 120.9 1.682 . . . . 0.0 115.533 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -51.73 -54.7 25.56 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 164.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.69 85.66 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.74 -47.15 84.79 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.38 76.33 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 168.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -79.73 59.66 3.15 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-N 119.382 0.992 . . . . 0.0 113.288 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.08 -54.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.456 1.102 . . . . 0.0 112.643 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.23 57.09 1.4 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 116.224 1.25 . . . . 0.0 116.224 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.56 138.13 31.74 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 121.995 0.902 . . . . 0.0 112.894 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -89.38 -50.69 5.97 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.586 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -106.54 146.66 30.35 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 121.649 0.738 . . . . 0.0 109.949 163.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.59 104.48 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 168.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -96.62 74.92 2.78 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.628 1.204 . . . . 0.0 110.819 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.21 133.82 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 C-N-CA 124.079 0.952 . . . . 0.0 111.074 -167.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -129.55 122.54 29.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.906 -1.121 . . . . 0.0 110.786 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.81 112.61 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.792 -0.568 . . . . 0.0 109.809 175.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -75.8 101.22 5.01 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.546 -0.721 . . . . 0.0 110.998 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.79 147.38 26.55 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 122.208 1.004 . . . . 0.0 113.591 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.45 -43.27 60.66 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.74 169.88 17.02 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.022 0.929 . . . . 0.0 111.814 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -57.45 -54.63 44.68 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 174.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.5 -36.95 85.48 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.83 -55.41 26.84 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 161.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.97 -34.22 59.13 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.34 -64.76 0.8 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 120.373 1.442 . . . . 0.0 113.546 166.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -61.91 -34.07 75.38 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 mt -65.99 -41.1 91.55 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 169.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -52.09 -58.62 6.02 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 156.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.22 -37.43 78.03 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.95 -45.31 60.66 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 159.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.83 -47.3 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 CA-C-N 119.797 1.18 . . . . 0.0 113.437 167.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.09 -48.49 78.48 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -49.16 -46.06 44.77 Favored 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 162.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.28 -58.39 8.73 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.74 -27.78 64.21 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -63.37 -41.5 98.82 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 159.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.21 -40.21 85.11 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 167.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.37 -42.2 96.3 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 165.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.53 48.01 1.01 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 116.366 1.307 . . . . 0.0 116.366 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.12 105.96 16.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -74.71 -43.94 52.53 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -95.4 118.37 32.02 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 119.581 1.082 . . . . 0.0 109.62 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.1 mt -130.07 104.59 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.75 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -166.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.27 130.95 37.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.396 -0.815 . . . . 0.0 110.726 172.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.27 110.94 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 120.958 -1.089 . . . . 0.0 109.201 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -109.36 111.77 23.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.644 -0.66 . . . . 0.0 110.614 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.76 111.1 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.15 73.72 6.28 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.289 -0.882 . . . . 0.0 110.699 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.31 -83.28 0.64 Allowed Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.527 -0.733 . . . . 0.0 114.333 -167.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -110.27 -36.77 5.72 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 166.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.57 117.15 11.73 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 119.739 1.154 . . . . 0.0 112.008 -172.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.12 117.17 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.165 -0.959 . . . . 0.0 109.121 -170.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -94.52 111.23 22.99 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.602 0.761 . . . . 0.0 109.538 169.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.49 111.2 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.718 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -100.43 93.4 5.62 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.406 1.082 . . . . 0.0 109.804 -171.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.79 145.89 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 121.262 0.553 . . . . 0.0 111.935 -170.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.11 39.28 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.556 1.17 . . . . 0.0 112.511 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -172.631 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.286 7.6 ttpt . . . . . 0 N--CA 1.503 2.188 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.44 100.89 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 148.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.1 109.68 21.71 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.386 1.474 . . . . 0.0 108.698 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -128.86 124.85 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.472 -0.767 . . . . 0.0 110.364 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 m -126.02 106.94 9.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -174.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -112.96 93.46 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -166.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -92.62 110.24 21.66 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 123.256 0.622 . . . . 0.0 111.134 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -106.21 103.46 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -171.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -78.88 114.49 17.86 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 119.685 1.129 . . . . 0.0 113.25 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -114.86 86.32 2.42 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 166.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.251 3.0 m-20 55.18 78.47 0.18 Allowed 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -40.27 2.13 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -79.8 101.52 8.54 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.59 99.12 4.19 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.748 0.785 . . . . 0.0 110.476 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.4 mm -81.6 96.41 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -95.81 118.65 32.87 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.909 -164.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.1 95.87 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 170.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.34 108.58 19.97 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 123.779 0.832 . . . . 0.0 109.613 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.2 pp -128.57 145.64 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 CA-C-O 122.423 1.106 . . . . 0.0 110.476 174.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 -137.1 77.85 1.66 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.366 -168.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.7 t -134.57 153.08 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -164.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -83.34 84.78 7.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 119.551 -1.968 . . . . 0.0 110.546 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.3 p -84.67 132.15 34.5 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -159.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.6 -99.35 1.17 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 123.693 0.663 . . . . 0.0 112.157 168.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -91.16 26.56 2.14 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 164.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -86.43 -49.66 7.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.613 -1.304 . . . . 0.0 112.632 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.7 tp -52.39 -39.32 60.71 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 159.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.02 -53.6 56.21 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.16 -43.27 92.1 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -52.63 63.81 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 165.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.62 -42.27 67.56 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.26 -53.18 59.26 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.82 -39.95 87.85 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 -40.24 95.66 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.27 -54.25 45.87 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 121.348 1.886 . . . . 0.0 114.21 166.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -49.52 -58.79 4.54 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 167.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.98 -43.18 95.29 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.46 -51.65 61.99 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.52 94.63 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 174.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -64.8 -37.73 88.59 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 168.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.58 -46.69 36.99 Favored 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.17 71.95 1.23 Allowed Glycine 0 N--CA 1.49 2.242 0 CA-C-N 119.509 1.049 . . . . 0.0 114.881 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.97 47.83 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.251 33.9 ptt-85 -94.87 -46.12 7.0 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -105.81 102.77 12.19 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 119.975 1.262 . . . . 0.0 109.405 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.02 105.85 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -169.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.28 103.58 16.22 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 118.303 0.502 . . . . 0.0 110.311 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.2 mt -98.58 104.11 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.8 m -104.82 116.0 31.27 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.682 0.674 . . . . 0.0 110.922 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -105.07 110.48 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 175.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -105.45 104.18 13.85 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.82 -179.74 4.39 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.42 -49.06 78.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.816 -1.177 . . . . 0.0 113.98 168.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -137.9 163.2 32.07 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 124.113 0.965 . . . . 0.0 109.692 171.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.0 47.49 0.53 Allowed 'General case' 0 CA--C 1.585 2.295 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 168.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -107.2 -50.92 3.0 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 124.403 1.081 . . . . 0.0 110.005 150.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -53.03 -54.23 38.44 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.7 88.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -56.46 -46.59 80.3 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 166.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.32 -42.27 75.58 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.5 -38.38 80.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 168.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -44.36 -54.51 5.76 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 161.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -57.69 -46.82 83.81 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.8 -47.28 74.21 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 168.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mt -60.09 -48.92 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 119.19 0.905 . . . . 0.0 112.752 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.28 66.1 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 169.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -54.03 -47.78 71.2 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.5 -55.87 19.05 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 165.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.16 -38.33 72.18 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -64.43 -39.69 94.31 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 165.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -60.03 -46.66 88.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 166.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.11 -44.99 94.11 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.02 66.32 0.45 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 119.146 0.884 . . . . 0.0 114.84 172.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.81 126.48 46.52 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 117.48 0.64 . . . . 0.0 111.017 -173.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.92 -47.33 7.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -93.69 104.94 17.01 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.503 1.501 . . . . 0.0 108.813 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.78 105.34 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -78.78 92.41 4.82 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 122.28 1.038 . . . . 0.0 110.532 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -82.49 112.5 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 C-N-CA 124.238 1.015 . . . . 0.0 108.736 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -134.08 109.98 9.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.7 -0.625 . . . . 0.0 111.905 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.92 108.18 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.12 0.968 . . . . 0.0 108.68 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -101.01 80.74 2.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.4 -101.87 0.81 Allowed Glycine 0 N--CA 1.494 2.504 0 O-C-N 121.002 -1.061 . . . . 0.0 114.951 -177.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.0 p -88.07 -17.68 30.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 166.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -100.89 97.96 8.5 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.637 1.175 . . . . 0.0 108.456 -161.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.42 101.24 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -168.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.28 117.08 28.74 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 121.678 0.751 . . . . 0.0 111.832 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.9 mm -102.86 99.86 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.633 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -102.76 103.56 13.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.433 0.635 . . . . 0.0 111.683 -170.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.02 140.59 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.534 -0.729 . . . . 0.0 110.802 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -134.88 95.68 3.38 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.499 1.986 0 O-C-N 120.338 -1.476 . . . . 0.0 108.456 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.54 84.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-N 120.464 1.484 . . . . 0.0 107.779 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.15 114.47 23.02 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 108.535 163.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.273 12.7 tt -97.01 107.98 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.752 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 161.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -108.59 118.74 37.57 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.17 126.21 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.3 108.16 19.42 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 160.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.05 93.05 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.31 88.56 7.51 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 123.275 1.512 . . . . 0.0 111.391 -171.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -87.4 151.41 23.1 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.423 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.63 92.59 0.86 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 112.474 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.08 -35.4 3.53 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -160.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -142.35 122.81 14.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 120.047 1.924 . . . . 0.0 111.44 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -86.22 100.96 12.61 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 109.531 162.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -85.34 97.86 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.94 146.76 45.51 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 -160.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 pt -145.82 135.63 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 123.02 0.528 . . . . 0.0 111.62 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -103.2 115.2 30.12 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.964 0.905 . . . . 0.0 110.111 162.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 pp -127.9 121.89 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.811 -1.181 . . . . 0.0 109.517 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -130.38 117.82 20.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.568 0.699 . . . . 0.0 112.492 -167.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.36 174.01 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 123.103 1.43 . . . . 0.0 111.251 -165.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -152.08 88.85 1.41 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 119.512 -1.993 . . . . 0.0 108.68 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -167.24 -54.6 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -158.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.26 -69.32 0.78 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.3 -0.875 . . . . 0.0 113.332 -165.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.45 -40.09 92.81 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.26 -37.31 86.73 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 122.062 2.21 . . . . 0.0 114.7 169.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.91 -43.48 86.22 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 162.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.93 -47.13 71.56 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.951 1.705 . . . . 0.0 115.495 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -49.18 78.58 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 167.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.49 88.31 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -52.18 -51.25 59.24 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 166.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.93 -39.3 93.85 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.88 -47.58 80.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 166.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -54.1 -47.42 71.79 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 3.3 pt-20 -55.72 -48.24 75.52 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 170.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -62.01 -54.31 43.41 Favored 'General case' 0 CA--C 1.572 1.803 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 171.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 -31.2 72.32 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -53.97 16.58 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 120.389 1.45 . . . . 0.0 113.476 166.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.14 74.74 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -80.49 61.22 4.15 Favored 'General case' 0 CA--C 1.579 2.066 0 CA-C-N 119.723 1.147 . . . . 0.0 112.476 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.199 1.399 . . . . 0.0 112.023 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.39 74.0 1.26 Allowed Glycine 0 N--CA 1.49 2.268 0 CA-C-N 119.447 1.021 . . . . 0.0 115.418 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.14 130.6 38.74 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -78.99 -43.19 24.9 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -117.98 133.1 56.24 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 119.5 1.045 . . . . 0.0 109.106 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.5 t -138.9 109.5 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.193 -1.567 . . . . 0.0 110.315 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -89.15 109.98 20.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.449 -0.782 . . . . 0.0 110.259 169.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -106.12 111.27 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.63 130.98 46.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.2 tt -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 122.557 0.343 . . . . 0.0 111.217 169.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.2 p -83.43 139.02 33.22 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.037 -1.04 . . . . 0.0 113.8 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.81 156.27 24.17 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.42 -38.22 86.95 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 167.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -147.19 174.77 11.29 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.284 1.034 . . . . 0.0 111.115 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.93 -45.8 92.1 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.67 -38.03 88.76 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 169.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.99 -39.35 89.31 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 163.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.55 90.96 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 166.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -52.99 -54.84 29.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 161.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.13 -33.95 76.55 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.89 -39.84 94.16 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 162.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.92 -53.34 54.1 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 161.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -30.98 63.49 Favored 'General case' 0 CA--C 1.578 2.042 0 N-CA-C 116.685 2.105 . . . . 0.0 116.685 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.05 -56.76 9.94 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.006 1.275 . . . . 0.0 114.386 163.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.49 -45.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.787 1.176 . . . . 0.0 113.391 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.88 -45.81 64.26 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 170.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -41.6 99.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 168.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.6 tp -53.89 -50.68 65.81 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 164.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.65 -34.57 77.22 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -62.92 -45.92 90.24 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 161.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.75 -48.23 69.91 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 167.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.12 -44.92 87.13 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.34 75.86 1.03 Allowed Glycine 0 N--CA 1.487 2.092 0 CA-C-N 119.637 1.108 . . . . 0.0 114.225 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -126.8 143.87 51.13 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.78 0.8 . . . . 0.0 112.179 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -74.29 -61.97 1.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -102.31 83.33 2.3 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.437 1.017 . . . . 0.0 109.565 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.2 mt -93.18 95.4 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -96.67 105.13 17.19 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.481 0.658 . . . . 0.0 110.602 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 122.23 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-O 121.675 0.75 . . . . 0.0 112.517 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -138.11 70.89 1.39 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -170.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.7 117.21 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.053 -1.029 . . . . 0.0 110.38 -166.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . 0.25 34.3 t30 -94.94 71.63 3.42 Favored 'General case' 0 CA--C 1.572 1.789 0 C-N-CA 124.488 1.115 . . . . 0.0 110.343 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.24 -104.25 1.16 Allowed Glycine 0 N--CA 1.491 2.367 0 O-C-N 121.478 -0.764 . . . . 0.0 114.875 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.6 p -92.69 -10.57 36.73 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 168.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.94 102.04 11.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.794 1.238 . . . . 0.0 109.872 172.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.66 94.88 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -171.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -92.21 113.53 25.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.3 mt -111.9 118.05 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.87 102.29 9.84 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.456 -160.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.04 131.56 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.434 -0.792 . . . . 0.0 109.924 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.15 132.43 56.08 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 121.554 0.692 . . . . 0.0 109.814 158.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.127 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.302 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 119.001 -0.523 . . . . 0.0 110.07 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.01 88.6 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 166.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.65 93.19 9.36 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 121.695 0.76 . . . . 0.0 109.507 -166.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.9 91.92 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -169.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.9 m -104.96 103.66 13.26 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.722 0.809 . . . . 0.0 108.934 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mt -103.83 106.01 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -91.63 103.22 15.84 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.874 0.87 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.0 94.71 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -94.73 107.89 19.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.403 -0.81 . . . . 0.0 111.848 -166.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtp-105 -123.75 75.06 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.077 0.551 . . . . 0.0 111.513 -170.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 48.77 62.22 2.69 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.25 -38.68 3.19 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 -166.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -78.6 81.34 4.92 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 119.343 1.571 . . . . 0.0 111.557 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -93.14 103.99 16.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.513 0.673 . . . . 0.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -97.71 106.43 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.81 120.02 40.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.697 0.799 . . . . 0.0 112.795 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.2 110.71 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -174.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -100.62 125.58 47.02 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.87 0.868 . . . . 0.0 112.706 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 pt -133.07 122.69 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 120.945 -1.097 . . . . 0.0 110.492 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -93.83 115.0 27.37 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.774 -1.204 . . . . 0.0 111.15 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.97 146.69 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 O-C-N 121.628 -0.67 . . . . 0.0 110.173 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -158.33 101.81 1.73 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.44 -2.038 . . . . 0.0 110.892 160.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -164.56 -39.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -172.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.7 68.0 1.72 Allowed Glycine 0 N--CA 1.497 2.743 0 CA-C-N 121.275 1.852 . . . . 0.0 115.082 -164.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.299 17.6 ptmt 176.0 -61.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.548 1.139 . . . . 0.0 111.49 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.26 -24.61 29.87 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.65 -50.03 64.0 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.015 1.28 . . . . 0.0 114.185 158.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -60.12 -36.81 78.29 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -65.73 -56.34 12.59 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 161.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.95 -48.3 81.03 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.59 -42.4 71.03 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -67.55 -43.18 81.31 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-N 120.902 1.683 . . . . 0.0 115.317 172.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.37 -31.16 72.12 Favored 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -69.9 -42.57 73.22 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 121.339 1.881 . . . . 0.0 115.353 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -43.79 -58.56 2.66 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 156.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -55.9 -43.19 77.03 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 170.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.73 -35.58 70.88 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 tp -59.75 -42.85 94.15 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.79 88.77 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 164.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -57.23 -46.49 82.92 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 164.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.22 -47.39 16.04 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.14 88.65 0.23 Allowed Glycine 0 N--CA 1.486 2.0 0 CA-C-N 119.457 1.026 . . . . 0.0 113.534 -168.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.25 124.48 24.57 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.717 0.759 . . . . 0.0 112.682 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -73.3 -45.23 56.65 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -95.89 116.24 28.63 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 119.897 1.226 . . . . 0.0 110.006 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.74 102.23 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.21 101.41 13.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.111 0.965 . . . . 0.0 110.151 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.07 107.4 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -101.23 122.74 44.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mm -112.52 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 165.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -85.42 102.35 13.38 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 119.117 0.871 . . . . 0.0 110.459 171.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.39 169.13 11.33 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -171.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.96 -47.51 68.44 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -130.14 153.43 48.53 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 122.282 1.039 . . . . 0.0 110.774 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -54.4 -34.17 60.77 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 161.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -57.04 -43.8 82.3 Favored 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 165.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.95 -40.33 88.64 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 167.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.15 57.09 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.01 -60.1 4.37 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 173.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.98 -35.77 81.3 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -56.99 -47.94 79.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 165.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.8 tp -52.14 -55.91 17.88 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 167.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.56 -43.19 94.69 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.86 -48.38 81.94 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.5 mt -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 CA-C-N 120.353 1.433 . . . . 0.0 112.836 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.13 82.64 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -49.81 -53.14 27.16 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 161.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -54.5 -53.04 59.61 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' HG ' HG21 ' A' ' 90' ' ' VAL . 4.2 mm? -74.85 -33.38 62.13 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -57.75 -40.52 79.89 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -57.88 -46.59 84.65 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 167.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.99 -48.75 67.5 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.38 57.16 0.04 OUTLIER Glycine 0 N--CA 1.487 2.042 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -127.39 99.77 5.77 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.74 -35.91 65.1 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -90.93 80.44 5.77 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.395 0.998 . . . . 0.0 109.962 -166.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.8 mt -99.82 100.21 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -167.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -113.6 109.64 18.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.507 -0.746 . . . . 0.0 110.602 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -104.17 136.47 37.3 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.23 115.44 30.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 151.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.3 t -85.22 95.18 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 164.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.34 86.42 2.42 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.609 0.719 . . . . 0.0 110.566 -166.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.5 -103.75 1.77 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.548 -0.72 . . . . 0.0 113.244 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.6 p -108.94 7.42 25.95 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 162.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.57 128.11 35.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 120.397 1.453 . . . . 0.0 111.915 166.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.05 89.43 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 151.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 92.06 7.19 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.334 0.653 . . . . 0.0 109.371 176.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -101.39 115.68 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -91.34 115.43 28.02 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.873 -0.517 . . . . 0.0 109.635 162.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' HG ' ' A' ' 69' ' ' LEU . 31.5 m -103.57 138.17 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-O 121.212 0.53 . . . . 0.0 111.33 174.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -128.95 159.64 35.22 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 122.354 1.073 . . . . 0.0 112.112 170.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.0 -1.063 . . . . 0.0 108.255 -175.506 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.6 mptt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.52 86.48 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -93.69 98.35 11.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -161.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mm -85.03 106.0 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 C-N-CA 123.338 0.655 . . . . 0.0 109.532 -171.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.1 m -105.15 100.1 9.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mm -86.55 104.81 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -101.19 103.35 14.38 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.536 1.062 . . . . 0.0 110.619 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.91 106.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -98.3 120.42 38.68 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.742 0.782 . . . . 0.0 110.776 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -135.09 131.0 36.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.684 0.794 . . . . 0.0 109.368 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.29 45.65 28.07 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 161.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.39 28.79 73.69 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 119.863 2.705 . . . . 0.0 119.863 -166.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -141.11 97.01 3.09 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 119.285 1.543 . . . . 0.0 109.407 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.15 101.98 14.7 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.91 0.884 . . . . 0.0 111.393 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -91.82 105.75 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.02 115.48 30.51 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.878 0.847 . . . . 0.0 112.622 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -113.18 114.04 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -75.69 116.61 16.58 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 163.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.269 9.8 tp -133.56 61.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.388 1.09 . . . . 0.0 110.04 174.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -71.82 141.41 49.64 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 -170.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.2 t -118.56 123.65 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.651 0.738 . . . . 0.0 109.639 -163.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -137.86 86.51 2.18 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 161.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.299 3.0 t -161.28 -71.09 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 119.016 -0.516 . . . . 0.0 110.888 -168.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.43 125.36 5.62 Favored Glycine 0 N--CA 1.491 2.337 0 CA-C-N 119.523 1.056 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.31 96.7 mttt 72.06 -41.07 0.49 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -169.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -77.32 70.72 3.74 Favored 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 124.092 1.901 . . . . 0.0 110.832 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.3 tp -168.13 -56.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.02 -1.9 . . . . 0.0 107.762 -159.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.72 -46.43 77.75 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 165.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -53.2 -50.96 63.59 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 166.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.52 81.21 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -49.18 -45.0 43.45 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.94 -47.0 76.13 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 172.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.78 -42.61 97.89 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 167.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.276 0.7 OUTLIER -59.5 -45.35 91.97 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.404 1.911 . . . . 0.0 115.589 169.692 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -50.05 -55.07 16.27 Favored 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 161.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.78 95.46 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -50.81 -53.21 33.91 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 166.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.43 64.47 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.92 -29.29 69.13 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.3 68.18 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.9 61.25 1.61 Allowed Glycine 0 N--CA 1.489 2.224 0 CA-C-N 119.636 1.107 . . . . 0.0 115.234 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.1 156.06 36.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -55.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 168.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -119.9 112.72 19.56 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.662 0.785 . . . . 0.0 108.958 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.92 116.55 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.271 15.8 pt20 -115.37 100.52 8.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.681 0.753 . . . . 0.0 111.547 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.17 113.29 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.8 m -99.09 107.5 19.91 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -104.05 112.08 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -97.56 108.29 20.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 110.917 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.75 166.7 10.74 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -171.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.48 -50.36 59.33 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -126.23 160.97 28.83 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.446 1.117 . . . . 0.0 111.99 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -56.41 -40.25 74.39 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.98 2.215 . . . . 0.0 116.98 168.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.48 -45.72 62.88 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 163.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -61.18 -53.75 53.02 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 168.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.29 -42.13 40.22 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.612 2.449 . . . . 0.0 117.612 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -56.8 -55.81 29.62 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 170.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.37 -36.11 78.72 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.0 -42.68 94.28 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 172.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.5 tp -42.92 -57.07 2.99 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 157.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.01 -46.73 83.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -54.9 -47.67 74.03 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 168.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.84 -47.89 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 120.146 1.339 . . . . 0.0 112.986 172.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.53 -50.74 62.25 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 168.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -55.06 -46.65 75.39 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 168.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.04 -57.29 9.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.71 -40.55 72.76 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.43 -45.61 80.66 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 163.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -57.15 -44.06 83.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.65 -53.02 60.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.38 68.86 0.05 OUTLIER Glycine 0 N--CA 1.487 2.057 0 CA-C-N 118.937 0.79 . . . . 0.0 113.85 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.69 135.53 38.27 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.012 0.525 . . . . 0.0 111.032 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -109.03 -49.14 3.17 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -172.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.17 82.81 7.91 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 120.068 1.304 . . . . 0.0 110.175 -170.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.26 98.74 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -166.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.73 102.31 11.89 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.035 0.922 . . . . 0.0 109.798 -173.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.48 129.94 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.431 0.692 . . . . 0.0 110.029 -172.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -132.12 129.84 40.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.502 -0.749 . . . . 0.0 110.1 162.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.8 107.34 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -94.66 85.71 4.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.506 -0.746 . . . . 0.0 109.959 172.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.66 -97.48 0.71 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 121.67 -0.644 . . . . 0.0 113.977 -173.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 p -107.97 2.15 23.05 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.4 96.46 8.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.477 1.49 . . . . 0.0 110.272 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.9 t -99.12 101.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -95.17 116.83 29.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.616 0.644 . . . . 0.0 112.365 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 mm -105.87 96.51 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -91.74 118.14 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.22 0.608 . . . . 0.0 111.633 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.31 127.94 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 122.84 0.456 . . . . 0.0 111.893 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -103.51 145.76 29.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.902 0.858 . . . . 0.0 111.575 169.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 123.345 1.545 . . . . 0.0 112.896 -176.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -83.35 112.19 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.567 0.747 . . . . 0.0 109.075 -170.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -75.69 119.73 20.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 168.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.97 85.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 166.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.0 m -84.88 115.57 22.84 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.956 -1.09 . . . . 0.0 109.975 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.52 112.22 32.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -108.27 111.31 23.2 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.564 -0.71 . . . . 0.0 110.004 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mt -89.49 104.17 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -95.77 89.77 5.41 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.508 0.671 . . . . 0.0 111.085 -171.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.11 74.33 4.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.939 -1.101 . . . . 0.0 111.353 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 52.91 58.31 5.46 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.64 -48.98 1.47 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 116.654 1.422 . . . . 0.0 116.654 -164.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.55 99.65 4.32 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.39 1.595 . . . . 0.0 111.347 -177.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.23 97.99 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.764 0.793 . . . . 0.0 112.456 -163.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 92.03 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.02 -1.05 . . . . 0.0 108.955 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.35 124.32 33.25 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.21 122.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.564 0.697 . . . . 0.0 110.406 174.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.88 92.23 5.73 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 124.179 0.992 . . . . 0.0 112.69 -172.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.7 mt -88.25 94.57 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.357 -1.464 . . . . 0.0 108.596 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -103.63 108.81 20.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.465 -0.772 . . . . 0.0 111.461 -168.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.9 137.21 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.344 -0.848 . . . . 0.0 110.564 -162.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 t -143.26 83.21 1.78 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.893 -1.13 . . . . 0.0 112.226 171.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.265 3.0 t -165.39 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.16 -62.77 0.42 Allowed Glycine 0 N--CA 1.491 2.329 0 CA-C-N 119.333 0.969 . . . . 0.0 114.01 -164.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.96 -129.06 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.796 164.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.286 19.0 tt0 67.5 -60.24 0.39 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -54.76 -47.15 74.23 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 162.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -51.32 -44.53 61.98 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.15 -49.31 74.87 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 168.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.34 92.86 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 116.655 2.095 . . . . 0.0 116.655 170.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.47 -44.59 65.69 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 170.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -59.58 -48.53 81.31 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 169.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.36 -37.94 89.27 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.78 -47.95 82.93 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 120.826 1.648 . . . . 0.0 115.118 169.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -49.65 -54.09 20.55 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 165.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -53.07 -55.44 23.81 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.44 94.81 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.77 -41.21 97.41 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.9 -51.56 57.6 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 166.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.43 -37.94 83.81 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.44 -35.44 70.92 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 167.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.04 68.21 1.14 Allowed Glycine 0 N--CA 1.487 2.079 0 CA-C-N 119.068 0.849 . . . . 0.0 113.886 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.96 93.51 9.5 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -43.25 73.07 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -121.93 129.82 52.84 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.499 1.045 . . . . 0.0 109.015 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.5 120.91 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.262 12.2 pt20 -103.42 112.59 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.557 -0.715 . . . . 0.0 111.687 167.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.26 113.56 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -107.02 109.84 21.83 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 116.87 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 122.672 0.389 . . . . 0.0 111.328 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -88.74 106.44 18.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.723 -0.611 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.64 160.07 14.9 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.2 -41.85 85.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 177.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -144.11 166.5 24.84 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 124.49 1.116 . . . . 0.0 110.866 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.57 -43.18 75.69 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.06 -44.74 96.04 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.2 -48.92 77.56 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 167.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.95 -42.96 63.27 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 164.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.49 93.0 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.74 -46.69 74.64 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 120.08 1.309 . . . . 0.0 114.238 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.28 -35.86 70.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 170.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.6 tp -52.06 -50.57 61.25 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 165.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -54.94 27.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 165.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.18 -45.0 72.0 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.9 mt -68.48 -57.09 10.08 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.996 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.815 169.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.97 67.17 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.97 -44.79 87.28 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.12 -52.05 65.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 164.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 HG21 ' A' ' 90' ' ' VAL . 65.2 mt -59.9 -50.45 73.72 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -62.19 -35.34 78.53 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -64.6 -40.08 94.88 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -49.01 79.22 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.08 57.97 0.33 Allowed Glycine 0 N--CA 1.485 1.936 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -109.25 112.51 24.7 Favored 'General case' 0 CA--C 1.561 1.384 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -63.23 -40.69 98.17 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -105.4 121.84 44.74 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 mt -125.94 94.74 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -108.65 99.82 9.14 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.446 -0.784 . . . . 0.0 110.399 -157.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -102.48 129.6 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 123.369 0.667 . . . . 0.0 111.148 -161.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -140.21 124.94 18.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.402 -0.811 . . . . 0.0 110.674 163.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.49 123.67 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 O-C-N 121.44 -0.787 . . . . 0.0 111.938 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -96.79 86.97 4.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.286 -0.884 . . . . 0.0 109.698 169.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.47 -93.75 0.72 Allowed Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.612 -0.68 . . . . 0.0 113.74 -172.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -110.07 -2.75 16.82 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 164.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -82.59 101.95 11.11 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.499 1.5 . . . . 0.0 110.894 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.7 t -85.99 100.49 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -94.69 101.24 13.08 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.643 0.777 . . . . 0.0 109.467 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.7 mt -102.9 108.91 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -94.75 114.58 26.51 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.227 0.537 . . . . 0.0 110.533 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.426 HG21 HD22 ' A' ' 69' ' ' LEU . 4.0 m -96.42 143.0 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 172.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.03 127.99 41.06 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 124.4 2.048 . . . . 0.0 111.251 -176.505 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.265 0.555 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -136.52 78.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 161.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.68 134.67 37.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.634 -0.666 . . . . 0.0 110.611 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 pp -107.0 111.03 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 157.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 m -108.88 103.07 12.05 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -112.33 106.42 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -110.87 118.04 35.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.345 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mt -97.34 109.4 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -82.47 82.53 7.87 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.659 0.742 . . . . 0.0 109.478 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -97.0 97.36 9.18 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.37 -0.831 . . . . 0.0 111.168 -162.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.366 7.8 m-20 77.56 -77.82 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 122.141 0.972 . . . . 0.0 112.196 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.87 57.48 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 CA-C-N 114.625 -1.17 . . . . 0.0 113.322 150.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -144.98 103.82 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 117.481 0.641 . . . . 0.0 109.803 -174.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.53 101.4 8.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.84 98.23 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.51 124.98 31.28 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.807 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.6 mm -117.63 95.81 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 167.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.55 96.79 6.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.301 1.04 . . . . 0.0 111.403 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.37 144.39 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.919 -1.113 . . . . 0.0 111.444 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -106.15 144.33 33.01 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.03 89.56 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.675 -0.641 . . . . 0.0 109.492 -161.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.7 p -103.85 84.16 2.22 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.522 -1.361 . . . . 0.0 114.446 -162.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -179.41 -54.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 123.71 0.804 . . . . 0.0 112.813 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.8 -59.63 0.45 Allowed Glycine 0 N--CA 1.49 2.259 0 CA-C-N 119.059 0.845 . . . . 0.0 113.526 -155.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -63.8 -44.2 94.01 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -53.78 -47.22 70.95 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 162.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.82 -47.42 85.18 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 173.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -51.19 -53.47 34.61 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 166.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.78 -47.33 86.14 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.3 47.0 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 170.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.06 -40.15 84.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.55 -53.31 48.01 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 165.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.255 15.3 tp10 -66.15 -32.19 73.48 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.6 -50.45 70.09 Favored 'General case' 0 N--CA 1.504 2.257 0 CA-C-N 123.489 2.859 . . . . 0.0 114.736 165.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -47.95 -52.83 18.09 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.77 -53.48 57.5 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 169.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.48 73.95 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -55.53 -45.46 77.19 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 170.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.65 -47.71 62.38 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 166.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -56.94 -51.41 69.27 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 -19.49 52.85 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.53 65.0 2.06 Favored Glycine 0 N--CA 1.489 2.205 0 CA-C-N 120.107 1.321 . . . . 0.0 114.515 -172.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 90.8 8.53 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.44 1.114 . . . . 0.0 113.19 -168.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -63.98 -44.33 93.03 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -136.35 103.19 5.2 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -171.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.26 114.88 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.116 -0.99 . . . . 0.0 108.965 -166.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 117.07 27.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.48 -0.762 . . . . 0.0 110.185 162.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.55 100.71 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -99.27 107.17 19.41 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 tt -103.44 116.83 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 t -101.14 106.35 17.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.969 -0.457 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.93 169.61 9.52 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -77.39 -44.18 30.13 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -107.69 154.04 22.05 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.084 0.856 . . . . 0.0 112.226 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.02 -45.46 94.71 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 165.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -54.97 -39.15 68.66 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 167.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.79 -53.72 55.2 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 166.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.5 79.79 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 171.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -51.16 -51.63 51.83 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 164.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.04 -44.43 92.53 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 170.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.53 -33.92 71.98 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 tp -54.91 -53.56 53.97 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 166.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -48.66 -57.42 6.29 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 163.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -57.75 -46.49 84.44 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.25 -56.21 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.007 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.131 170.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.05 66.06 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -58.64 -40.41 83.34 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 166.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -50.3 74.07 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 164.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.407 HD13 ' CG1' ' A' ' 90' ' ' VAL . 45.5 mt -58.46 -43.54 88.92 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -51.6 -46.66 63.63 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 161.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -18.36 63.55 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 171.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.6 -59.44 2.72 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.403 1.91 . . . . 0.0 112.844 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.95 79.03 0.45 Allowed Glycine 0 N--CA 1.484 1.89 0 CA-C-N 118.709 0.686 . . . . 0.0 113.165 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -132.9 127.56 34.64 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.269 0.628 . . . . 0.0 109.894 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.92 -46.01 54.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.98 127.24 39.65 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.4 mm -125.03 88.33 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -99.59 94.23 6.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 111.166 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -83.27 129.66 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 121.307 -0.871 . . . . 0.0 112.286 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 111.34 13.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 166.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 t -94.47 128.5 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.565 -0.709 . . . . 0.0 109.835 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -110.67 71.13 0.74 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.404 -0.81 . . . . 0.0 110.742 169.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.63 -98.58 0.35 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 121.546 -0.722 . . . . 0.0 114.844 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -91.93 -8.44 46.29 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.92 111.65 22.78 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 119.656 1.117 . . . . 0.0 109.852 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 t -103.95 102.5 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -90.85 102.1 14.86 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.62 0.645 . . . . 0.0 111.604 169.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.8 mt -94.88 105.07 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -87.89 106.27 17.99 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.481 1.112 . . . . 0.0 110.243 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 69' ' ' LEU . 35.4 m -104.0 128.95 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.142 0.496 . . . . 0.0 111.213 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -128.96 133.57 47.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.364 0.602 . . . . 0.0 110.837 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.263 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.645 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.3 108.73 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -122.99 110.85 15.89 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -172.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.16 91.07 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-N 120.074 1.307 . . . . 0.0 109.209 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -87.73 105.29 17.28 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 122.049 0.928 . . . . 0.0 108.565 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.93 107.83 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -98.94 97.33 8.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.321 0.581 . . . . 0.0 110.591 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -81.55 98.06 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -91.74 93.48 8.9 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.772 1.273 . . . . 0.0 108.355 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 123.13 49.59 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.103 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 37.54 69.54 0.23 Allowed 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 168.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.89 30.51 73.29 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 119.988 2.755 . . . . 0.0 119.988 -171.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -148.37 106.12 3.69 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 119.584 1.692 . . . . 0.0 110.83 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -82.74 103.34 12.17 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.928 0.891 . . . . 0.0 111.294 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.3 mt -104.96 100.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -98.84 121.28 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.93 97.5 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.76 107.96 19.62 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.014 0.926 . . . . 0.0 111.408 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.276 2.5 pp -127.27 130.88 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 120.895 -1.128 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -114.55 117.47 31.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.566 0.746 . . . . 0.0 110.105 -164.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.01 93.14 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.926 0.87 . . . . 0.0 109.654 -155.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -87.36 65.94 8.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.768 -1.208 . . . . 0.0 113.766 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -168.78 156.44 7.67 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.929 0.871 . . . . 0.0 112.322 -155.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.67 156.33 15.72 Favored Glycine 0 N--CA 1.492 2.375 0 CA-C-O 121.693 0.607 . . . . 0.0 114.171 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.363 60.5 mttp 72.27 -48.42 0.68 Allowed 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.78 -49.72 74.46 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 162.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 tp -54.8 -50.63 68.06 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -48.34 -54.83 12.43 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 166.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -61.68 -46.65 88.8 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.95 79.64 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.63 -40.18 78.61 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.64 -42.11 95.69 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.85 -36.85 81.05 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 121.128 1.786 . . . . 0.0 115.583 166.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -66.35 -40.25 89.69 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -44.24 -55.54 4.79 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 155.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -58.9 -52.48 65.58 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.03 72.59 Favored 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 167.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tt -54.24 -54.64 37.25 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.81 74.23 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 171.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -59.38 -33.12 70.8 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.14 75.29 Favored 'General case' 0 CA--C 1.566 1.595 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 168.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.87 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 119.952 1.251 . . . . 0.0 115.166 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.98 142.24 43.37 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -164.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -86.41 -44.83 11.71 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.13 100.48 6.57 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 119.628 1.104 . . . . 0.0 108.809 -174.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 t -108.92 115.24 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.25 -1.531 . . . . 0.0 108.56 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -107.21 98.37 8.01 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.585 0.754 . . . . 0.0 110.817 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.5 109.16 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -113.39 109.82 19.32 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -98.12 112.67 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.612 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -83.67 97.13 8.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.959 -0.463 . . . . 0.0 110.778 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.16 155.92 17.69 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.397 1.094 . . . . 0.0 113.864 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.05 -43.97 32.51 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -123.04 157.75 32.07 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 122.311 1.053 . . . . 0.0 111.67 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -51.72 -51.11 58.57 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 161.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -56.17 -33.43 65.25 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.3 -56.87 11.57 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 120.137 1.335 . . . . 0.0 113.632 161.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.76 51.06 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -50.56 73.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 171.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.25 8.5 pt-20 -72.94 -32.57 65.36 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 172.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.28 -39.66 95.2 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 165.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -48.28 -54.9 12.03 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 159.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -45.4 93.33 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 173.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 tp -54.04 -49.24 69.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.55 -48.37 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 CA-C-N 119.456 1.025 . . . . 0.0 111.952 171.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.42 -46.39 66.32 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 171.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -50.32 -51.48 44.99 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.89 -49.8 72.39 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 90' ' ' VAL . 73.3 mt -64.45 -41.25 96.65 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 174.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -59.44 -45.13 92.45 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 166.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -56.68 -48.11 78.38 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 164.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.36 -47.0 87.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 174.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.72 72.8 0.82 Allowed Glycine 0 N--CA 1.488 2.135 0 CA-C-N 119.294 0.952 . . . . 0.0 114.426 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -132.74 130.92 40.62 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.095 0.558 . . . . 0.0 110.613 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -81.32 -48.71 11.62 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -93.75 83.77 4.49 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.603 1.092 . . . . 0.0 109.709 -164.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.8 mt -97.21 95.28 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -168.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -88.38 96.27 10.53 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 124.466 1.107 . . . . 0.0 111.159 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.3 122.23 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 110.372 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -124.59 117.86 25.26 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 121.478 -0.764 . . . . 0.0 109.342 161.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.43 97.68 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 165.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -91.88 73.84 5.68 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 123.896 0.878 . . . . 0.0 110.471 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.14 -103.81 1.64 Allowed Glycine 0 N--CA 1.491 2.306 0 O-C-N 121.525 -0.735 . . . . 0.0 113.836 -167.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.2 p -102.13 -15.43 16.7 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 167.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -67.64 113.04 5.12 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-N 119.973 1.26 . . . . 0.0 111.629 169.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.0 t -100.76 98.82 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -96.75 100.73 12.26 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.285 1.034 . . . . 0.0 108.763 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.7 mt -112.3 105.36 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -100.92 118.49 37.06 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.363 0.665 . . . . 0.0 110.555 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 69' ' ' LEU . 31.2 m -101.34 131.52 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.209 1.004 . . . . 0.0 111.988 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -122.78 153.7 39.17 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 122.651 1.215 . . . . 0.0 110.506 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -172.621 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 . . . . . 0 CA--C 1.573 1.848 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.346 38.1 tpp 63.26 -101.81 0.1 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-N 120.094 1.316 . . . . 0.0 112.913 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -150.62 69.4 0.98 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 119.033 0.833 . . . . 0.0 109.399 170.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -141.92 89.33 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.64 112.0 23.59 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.75 90.27 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m -104.93 116.87 32.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.897 -0.502 . . . . 0.0 110.442 -170.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.81 106.16 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -94.13 109.51 21.28 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 119.308 0.958 . . . . 0.0 109.469 164.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -89.33 110.92 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -86.84 107.69 18.42 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.822 0.82 . . . . 0.0 108.797 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -103.62 -175.25 2.75 Favored 'General case' 0 CA--C 1.571 1.775 0 CA-C-O 122.852 1.311 . . . . 0.0 111.773 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.06 91.2 0.07 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.69 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.78 79.36 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 120.166 2.826 . . . . 0.0 120.166 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -160.02 131.47 5.97 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.912 1.856 . . . . 0.0 109.544 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.27 136.24 33.24 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.418 0.628 . . . . 0.0 112.158 160.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.39 105.96 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -105.78 125.9 51.53 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.289 0.566 . . . . 0.0 111.551 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 pt -132.94 126.07 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.21 0.604 . . . . 0.0 109.537 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -110.93 129.68 55.81 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.441 0.696 . . . . 0.0 111.395 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.1 mm -116.61 82.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -96.8 121.25 38.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.787 -1.195 . . . . 0.0 113.354 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.93 138.58 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.613 -0.679 . . . . 0.0 111.699 -158.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -121.41 105.93 10.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.969 -1.082 . . . . 0.0 109.474 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -160.37 -66.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.1 130.82 5.55 Favored Glycine 0 N--CA 1.484 1.864 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -155.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.355 64.7 mmtt 77.52 -34.98 0.2 Allowed 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 168.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' HE ' ' A' ' 29' ' ' ARG . 4.9 mm-40 -61.95 -30.73 71.11 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 161.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.47 -54.32 42.5 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 119.902 1.228 . . . . 0.0 113.747 163.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.44 -49.36 74.79 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HE ' ' CD ' ' A' ' 26' ' ' GLU . 25.9 mtp85 -58.38 -49.05 78.62 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 172.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.81 87.28 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 166.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.8 -42.14 64.81 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -59.55 -49.71 76.7 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 169.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.2 -36.05 80.92 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.83 -44.26 94.15 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 168.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -58.72 4.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -50.36 -48.39 55.66 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 166.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.96 82.52 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.78 -45.52 74.28 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -47.72 77.49 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -60.84 -47.08 87.98 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.75 65.9 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.03 63.25 2.58 Favored Glycine 0 N--CA 1.488 2.164 0 CA-C-N 119.53 1.059 . . . . 0.0 114.597 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 94.77 9.98 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.682 0.753 . . . . 0.0 112.326 -169.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -72.72 -36.55 67.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -125.14 112.27 16.27 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 119.635 1.107 . . . . 0.0 108.242 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.62 124.77 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.144 -0.973 . . . . 0.0 109.557 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -99.33 104.08 15.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 165.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.25 113.77 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 m -108.81 112.62 24.98 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.76 105.7 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -75.07 84.87 2.31 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 124.786 1.234 . . . . 0.0 111.737 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.15 154.84 17.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -166.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.56 -37.0 57.3 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -146.73 171.34 15.31 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.544 1.164 . . . . 0.0 112.12 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.75 -44.43 85.91 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.2 -42.79 99.37 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.04 -53.72 49.13 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 163.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.28 55.15 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -56.84 -61.64 2.3 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 120.574 1.534 . . . . 0.0 113.92 169.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -70.24 -28.72 65.48 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.1 -45.45 91.99 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.349 1.886 . . . . 0.0 114.029 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.14 -55.7 6.67 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 163.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.1 -34.2 68.44 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.6 -44.55 69.51 Favored 'General case' 0 N--CA 1.505 2.306 0 CA-C-N 123.069 2.668 . . . . 0.0 116.069 162.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.31 -47.82 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.031 0 CA-C-N 119.524 1.057 . . . . 0.0 112.452 170.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.22 71.89 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -50.51 -47.38 57.38 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 166.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.12 -59.54 4.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.41 -31.3 62.27 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -63.6 -35.2 79.73 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -47.22 85.28 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 120.971 1.714 . . . . 0.0 114.729 165.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.2 -43.06 87.83 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.71 68.2 0.57 Allowed Glycine 0 N--CA 1.487 2.08 0 CA-C-N 119.457 1.026 . . . . 0.0 114.573 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.88 123.78 50.03 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.068 0.547 . . . . 0.0 110.484 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.62 -44.65 56.5 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.67 80.72 1.94 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.192 0.905 . . . . 0.0 110.083 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.2 mt -96.78 95.92 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -166.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 102.86 12.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.504 -0.747 . . . . 0.0 110.792 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -88.85 134.37 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -133.03 123.8 26.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 109.184 155.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.47 115.7 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -88.96 83.58 6.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.12 -89.96 0.5 Allowed Glycine 0 N--CA 1.492 2.396 0 O-C-N 121.917 -0.489 . . . . 0.0 113.926 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.2 p -104.68 -10.08 17.74 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 166.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.21 105.79 18.05 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.501 1.5 . . . . 0.0 109.985 -165.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -93.38 100.98 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -165.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -91.49 120.19 32.1 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.272 0.942 . . . . 0.0 111.524 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.9 mt -115.79 111.0 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -95.13 111.32 23.16 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.59 123.12 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 123.103 0.561 . . . . 0.0 111.739 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -120.57 121.82 39.21 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.023 0.439 . . . . 0.0 110.388 -172.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 122.775 1.274 . . . . 0.0 108.59 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 CA--C 1.56 1.334 0 CA-C-O 121.103 0.477 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -77.23 115.07 16.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -0.909 . . . . 0.0 110.718 174.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -118.13 -72.71 0.67 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.176 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.36 91.63 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.75 119.23 33.02 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.897 -0.502 . . . . 0.0 110.393 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.06 86.08 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -86.49 104.97 16.46 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 122.014 0.912 . . . . 0.0 109.088 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.3 mt -95.21 134.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.004 0.922 . . . . 0.0 109.157 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -126.5 102.42 7.11 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 156.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 pt -98.84 116.45 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.28 -0.887 . . . . 0.0 110.778 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.1 102.72 15.37 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -94.8 83.28 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.433 1.093 . . . . 0.0 111.053 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.9 55.09 10.08 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.95 -48.17 1.16 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -163.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -79.26 100.52 7.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 118.687 1.243 . . . . 0.0 112.948 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.28 107.27 11.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.011 -1.056 . . . . 0.0 111.659 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -103.25 112.53 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -174.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -116.92 138.44 51.54 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -164.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -145.28 121.19 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -95.05 105.4 17.32 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.584 -0.698 . . . . 0.0 111.113 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.65 94.19 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -93.15 97.12 10.46 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 123.244 0.617 . . . . 0.0 111.971 -171.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -144.05 88.94 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 -161.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.0 p -93.99 85.51 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.546 -1.346 . . . . 0.0 111.746 172.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -166.62 155.87 11.03 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.914 0.885 . . . . 0.0 109.814 -164.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.69 -64.19 1.91 Allowed Glycine 0 N--CA 1.495 2.569 0 O-C-N 120.77 -1.206 . . . . 0.0 114.397 165.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.89 140.26 51.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 122.389 -0.477 . . . . 0.0 111.791 168.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.4 46.0 mt-10 89.83 -51.4 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.498 1.119 . . . . 0.0 113.891 -165.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -55.28 -53.52 55.06 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 120.388 1.449 . . . . 0.0 114.866 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.06 -41.71 92.96 Favored 'General case' 0 CA--C 1.575 1.923 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 171.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.85 -46.13 90.79 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 169.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -52.53 65.19 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 166.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -49.21 -49.17 44.13 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.5 -21.0 61.27 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -87.98 -32.34 18.9 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 122.334 2.334 . . . . 0.0 115.257 163.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.24 -42.3 99.2 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.367 -1.458 . . . . 0.0 114.873 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -50.37 -42.07 52.8 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 160.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -66.99 -50.58 61.79 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.362 1.465 . . . . 0.0 113.77 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.08 63.93 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 165.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.37 -55.15 14.95 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-N 120.05 1.295 . . . . 0.0 114.41 166.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.32 62.1 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -80.45 63.66 4.98 Favored 'General case' 0 CA--C 1.579 2.07 0 CA-C-O 122.301 1.048 . . . . 0.0 112.211 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.45 -61.27 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 125.264 1.425 . . . . 0.0 111.049 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.74 78.74 0.98 Allowed Glycine 0 N--CA 1.487 2.089 0 CA-C-N 119.527 1.058 . . . . 0.0 114.314 -172.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.81 150.84 21.41 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-O 121.759 0.79 . . . . 0.0 112.919 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -80.15 -69.71 0.57 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.72 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -107.15 112.09 24.83 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.729 1.149 . . . . 0.0 109.528 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.87 97.68 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -108.35 103.51 12.68 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.402 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -110.43 116.11 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -94.94 111.83 23.59 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.271 11.9 mt -100.97 103.48 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 p -90.97 104.94 17.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.783 -0.573 . . . . 0.0 111.973 -177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.36 169.26 9.68 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.47 -33.24 54.69 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.84 158.13 44.59 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 119.759 1.163 . . . . 0.0 111.312 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.59 -47.56 85.08 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.77 -41.09 90.33 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 166.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.52 -41.94 95.44 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.81 82.04 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 163.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -55.54 -49.58 72.27 Favored 'General case' 0 CA--C 1.577 2.007 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 166.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.72 -43.4 85.25 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 171.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.38 -46.29 80.69 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.9 tp -45.22 -54.53 6.86 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 121.114 1.779 . . . . 0.0 115.774 164.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.7 -48.55 77.45 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 168.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -48.7 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.626 1.103 . . . . 0.0 112.421 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.28 -43.64 64.55 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -56.67 -42.43 78.99 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 116.015 1.858 . . . . 0.0 116.015 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.02 -48.63 80.9 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 166.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.1 mt -50.55 -47.69 57.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -57.98 -44.85 87.35 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -62.28 -43.56 98.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 168.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.55 -45.31 93.55 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.52 38.05 3.82 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.82 165.14 25.65 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.721 1.26 . . . . 0.0 113.967 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -111.01 -59.7 1.93 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.361 -0.837 . . . . 0.0 111.823 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.11 106.19 18.32 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.6 107.65 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -117.2 124.78 49.95 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 123.728 0.811 . . . . 0.0 111.568 -175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -106.74 128.22 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.271 -0.893 . . . . 0.0 109.412 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -129.84 104.65 7.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.048 -1.033 . . . . 0.0 109.679 165.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -95.63 105.78 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -92.02 83.95 5.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.479 -0.763 . . . . 0.0 110.076 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.73 -95.55 0.71 Allowed Glycine 0 N--CA 1.49 2.245 0 O-C-N 121.812 -0.555 . . . . 0.0 113.675 -172.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.5 p -110.74 1.38 17.81 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 166.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.0 97.96 7.0 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.595 1.543 . . . . 0.0 110.494 173.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.4 t -87.49 91.18 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -83.32 110.14 17.86 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.447 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.87 104.6 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.557 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -106.97 104.02 13.59 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.42 1.088 . . . . 0.0 109.642 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.1 m -123.46 137.09 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -134.38 161.93 33.62 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 123.15 1.452 . . . . 0.0 112.918 170.689 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.92 1.343 . . . . 0.0 109.025 -163.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.9 ttt -152.02 69.7 0.91 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.145 -0.972 . . . . 0.0 111.781 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.8 tttt 173.42 116.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.45 111.91 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.147 -0.971 . . . . 0.0 111.567 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.22 118.61 18.33 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 123.258 0.623 . . . . 0.0 110.921 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.275 38.0 pt -105.11 94.63 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -103.55 105.34 15.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.64 109.3 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -170.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -97.48 110.6 23.13 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.759 0.79 . . . . 0.0 111.203 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.8 mt -88.93 102.01 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.1 103.83 16.29 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.552 0.692 . . . . 0.0 110.24 -172.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -117.56 157.5 26.23 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.505 0.722 . . . . 0.0 110.89 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -61.91 116.83 5.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.919 -1.113 . . . . 0.0 112.802 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.37 -32.95 6.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 118.411 2.124 . . . . 0.0 118.411 -168.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -136.56 115.21 12.01 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.1 1.95 . . . . 0.0 110.233 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -86.72 111.29 20.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.527 -0.733 . . . . 0.0 109.035 160.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.7 mt -102.91 82.39 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -78.7 112.55 15.93 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.306 1.05 . . . . 0.0 112.514 168.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 pt -108.47 118.35 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.294 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -116.81 98.55 6.57 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 122.245 1.022 . . . . 0.0 113.162 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.48 134.28 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 C-N-CA 124.219 1.008 . . . . 0.0 108.831 -170.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -109.09 99.74 9.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 119.585 -1.947 . . . . 0.0 110.622 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.08 150.99 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 122.818 1.295 . . . . 0.0 114.442 -162.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -87.22 102.92 14.94 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.369 1.068 . . . . 0.0 109.963 167.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.24 87.21 3.07 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -160.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.16 -82.7 0.04 OUTLIER Glycine 0 N--CA 1.487 2.084 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 158.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.04 -30.91 67.22 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 167.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -67.27 -48.5 67.53 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.996 1.725 . . . . 0.0 113.853 168.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -47.33 -55.17 9.31 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -54.92 -49.11 72.09 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -67.85 -43.85 78.53 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.51 73.22 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 166.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 tp -50.93 -47.0 61.11 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.3 -47.01 87.85 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 168.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.15 -37.29 69.43 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.69 -43.04 89.88 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 164.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -51.31 -51.96 49.55 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -54.93 -53.18 58.84 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.23 93.62 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.866 2.172 . . . . 0.0 116.866 172.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.0 -49.31 68.22 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.24 86.54 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -81.79 47.13 1.05 Allowed 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 119.29 0.95 . . . . 0.0 113.487 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.95 -63.9 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.834 1.254 . . . . 0.0 111.599 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.48 67.6 1.79 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.48 143.26 26.92 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -59.64 -47.06 87.08 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -123.44 136.23 54.5 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 119.232 0.924 . . . . 0.0 109.698 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.31 126.03 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.81 -1.181 . . . . 0.0 108.623 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -125.57 103.39 7.84 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.065 0.546 . . . . 0.0 111.116 -167.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.65 114.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -105.31 115.1 29.69 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 118.726 0.694 . . . . 0.0 109.45 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mm -109.73 108.95 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 t -81.22 84.13 6.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.463 -0.773 . . . . 0.0 112.017 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.95 155.28 25.31 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -164.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.42 -42.92 67.68 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -136.03 157.75 46.07 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.155 0.982 . . . . 0.0 111.062 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -57.48 -42.68 83.1 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.662 2.467 . . . . 0.0 117.662 172.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.67 -45.42 89.45 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 169.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.05 -43.94 87.14 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 165.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.54 67.24 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 168.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -47.61 85.01 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 121.07 1.759 . . . . 0.0 115.411 165.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.73 -46.11 84.88 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 170.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.4 -49.57 76.33 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.33 -53.29 17.96 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 167.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.51 -48.86 80.02 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.85 -45.36 82.47 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.06 -48.56 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-N 120.189 1.359 . . . . 0.0 112.837 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.48 76.38 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -49.87 -46.35 51.43 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 163.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.79 -54.0 51.34 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 90' ' ' VAL . 4.3 mm? -70.54 -34.27 72.07 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 161.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -43.79 76.25 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 165.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.5 -5.8 26.43 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.42 -1.81 56.01 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 119.78 2.672 . . . . 0.0 119.78 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.444 ' CD2' HG23 ' A' ' 90' ' ' VAL . 42.9 m-85 -81.56 154.04 26.43 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 119.963 1.882 . . . . 0.0 113.366 -172.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.85 -67.27 1.0 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -161.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.6 83.43 7.89 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.751 1.16 . . . . 0.0 110.382 -166.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.0 mt -86.92 98.76 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -166.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -86.43 100.51 12.4 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.737 0.815 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.02 106.43 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -126.01 80.74 1.93 Allowed 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.24 110.71 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 109.743 -171.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -88.14 78.28 8.15 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.58 0.705 . . . . 0.0 111.047 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.44 -96.98 0.84 Allowed Glycine 0 N--CA 1.492 2.414 0 O-C-N 121.504 -0.747 . . . . 0.0 113.841 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.9 p -99.01 -7.49 26.78 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 163.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.04 100.26 6.43 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.919 1.691 . . . . 0.0 112.624 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -84.18 93.04 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -100.91 102.28 13.28 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.31 0.576 . . . . 0.0 110.06 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -106.73 103.96 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -170.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.71 119.59 39.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.533 0.733 . . . . 0.0 110.523 -176.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 74' ' ' TYR . 26.5 m -128.67 139.63 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.881 -0.512 . . . . 0.0 111.928 -164.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -103.59 154.68 19.23 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.171 -0.956 . . . . 0.0 112.897 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 122.483 1.135 . . . . 0.0 110.068 173.638 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 CA--C 1.574 1.898 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.293 48.4 mtt 85.68 121.97 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 125.558 1.543 . . . . 0.0 112.648 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.416 55.9 tptt 74.22 -94.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.826 1.25 . . . . 0.0 113.155 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.81 99.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -101.73 154.18 19.13 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.814 1.293 . . . . 0.0 111.782 163.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 50' ' ' ILE . 44.1 pt -126.67 88.7 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.456 -171.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 m -92.75 94.08 8.79 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mm -118.37 112.34 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.055 -1.028 . . . . 0.0 108.383 -162.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -106.4 119.06 38.27 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.148 1.34 . . . . 0.0 111.099 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.61 100.17 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -98.47 123.85 42.85 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.774 0.797 . . . . 0.0 111.64 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -122.47 64.35 0.95 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 122.87 0.468 . . . . 0.0 110.876 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.47 83.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.08 -52.3 4.6 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 -168.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.02 94.16 1.85 Allowed 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.753 0.821 . . . . 0.0 112.117 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.283 22.1 pt-20 -110.88 123.38 50.01 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.261 1.029 . . . . 0.0 113.41 176.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.73 122.51 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.29 152.6 47.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -162.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 pt -122.69 148.29 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.566 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -147.75 102.75 3.45 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 pt -158.47 112.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 121.218 -0.926 . . . . 0.0 110.678 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.266 38.8 ptt180 -77.14 129.3 35.81 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.17 91.44 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.773 0.829 . . . . 0.0 110.75 -162.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.1 p -72.65 91.82 1.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.705 -1.247 . . . . 0.0 112.765 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -144.7 147.63 33.24 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.817 -154.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -88.75 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 O-C-N 121.846 -0.533 . . . . 0.0 112.285 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -93.77 52.01 1.63 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.77 -53.43 0.93 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.539 1.136 . . . . 0.0 110.505 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.68 -32.86 31.48 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 155.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -40.96 -50.05 3.27 Favored 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 156.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -43.35 68.16 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.15 96.92 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.76 -36.07 75.89 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 166.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -62.12 -38.21 88.04 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 165.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.52 -38.4 77.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 163.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.1 mt -56.23 -46.24 79.61 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 122.291 2.314 . . . . 0.0 114.77 165.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -47.32 -56.61 6.5 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 164.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.53 -43.61 89.46 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.43 59.53 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 168.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -52.97 -48.19 67.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 165.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.64 -51.89 20.84 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -51.7 -44.8 63.29 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.87 -26.88 21.39 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.38 1.35 Allowed Glycine 0 N--CA 1.489 2.191 0 CA-C-N 119.796 1.18 . . . . 0.0 115.353 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.24 114.2 21.65 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.19 -52.17 17.8 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 172.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -142.81 127.99 18.66 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 119.674 1.124 . . . . 0.0 110.971 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.3 t -130.51 129.62 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -165.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.24 102.1 11.81 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 69' ' ' LEU . 4.2 mp -95.01 107.72 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -116.81 108.07 15.4 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 118.866 0.757 . . . . 0.0 110.268 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 4' ' ' ILE . 10.9 mm -101.7 110.73 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -79.94 93.34 5.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.697 -0.627 . . . . 0.0 111.04 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.56 160.17 14.54 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -168.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.17 -42.41 59.93 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -141.52 160.82 39.35 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.976 0.91 . . . . 0.0 111.119 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.74 -47.5 76.83 Favored 'General case' 0 CA--C 1.577 2.004 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.57 -46.24 84.21 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.79 -49.1 77.75 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 166.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.55 80.67 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -53.33 -53.88 44.58 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -65.15 -42.6 93.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.24 -49.63 73.61 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 165.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 tt -48.81 -58.85 4.16 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.06 -46.74 82.22 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 172.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.39 -47.57 66.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 168.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 mt -61.79 -48.83 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 119.642 1.11 . . . . 0.0 112.896 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.4 71.54 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -55.01 -47.95 73.99 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 164.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.46 -50.49 73.37 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD11 HD13 ' A' ' 48' ' ' ILE . 57.0 mt -69.76 -33.68 72.75 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -59.39 -41.88 90.41 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 158.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.7 -46.98 77.57 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.18 -46.57 80.26 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 50.88 0.24 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -107.99 100.09 9.47 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.39 -32.71 58.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -96.56 107.1 19.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.948 1.249 . . . . 0.0 109.127 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.05 108.28 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -166.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -86.05 102.94 14.27 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 121.061 -1.024 . . . . 0.0 110.161 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.15 105.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 123.818 0.847 . . . . 0.0 109.211 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -131.1 108.44 9.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.231 -0.918 . . . . 0.0 110.1 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.99 113.83 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 120.966 -1.084 . . . . 0.0 109.95 157.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -95.91 84.77 3.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.077 -1.014 . . . . 0.0 109.479 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.49 -95.5 0.88 Allowed Glycine 0 N--CA 1.49 2.285 0 O-C-N 121.756 -0.59 . . . . 0.0 112.712 -167.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.8 p -114.89 0.51 13.77 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 164.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.11 104.78 7.8 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 121.316 1.871 . . . . 0.0 109.947 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.64 90.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.748 -1.22 . . . . 0.0 108.858 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.17 96.99 7.57 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.348 0.659 . . . . 0.0 110.27 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mm -107.44 112.74 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -115.1 110.12 19.06 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.629 0.771 . . . . 0.0 109.934 -171.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.69 150.85 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 133.66 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 172.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 175.635 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.7 tpt -78.01 146.53 35.31 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -172.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.73 -54.64 3.97 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.5 102.88 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -110.49 114.85 28.59 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 170.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mp -105.92 106.25 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 119.289 0.95 . . . . 0.0 108.922 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -97.82 113.74 25.61 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.349 1.06 . . . . 0.0 109.463 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mm -116.91 100.0 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -99.47 95.74 7.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.764 -0.585 . . . . 0.0 111.185 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.74 99.07 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -103.76 87.54 2.84 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.896 0.878 . . . . 0.0 109.111 -170.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -88.22 75.63 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -171.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.6 OUTLIER 57.9 65.02 1.39 Allowed 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.28 34.74 50.4 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 118.731 2.252 . . . . 0.0 118.731 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -154.24 106.74 2.81 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.461 1.63 . . . . 0.0 110.084 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.81 107.33 19.13 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.439 1.096 . . . . 0.0 113.475 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -92.94 96.51 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -102.11 109.15 20.79 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -100.18 89.83 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.76 102.99 12.17 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.763 0.825 . . . . 0.0 109.565 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 pt -131.23 144.64 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 122.109 0.957 . . . . 0.0 112.76 -163.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.69 111.76 22.35 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.077 0.951 . . . . 0.0 109.464 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.68 83.43 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.381 -0.824 . . . . 0.0 110.663 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 t -83.98 72.87 10.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.467 -1.396 . . . . 0.0 114.249 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -166.1 120.82 1.18 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -165.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 33.88 0.98 Allowed Glycine 0 N--CA 1.497 2.734 0 N-CA-C 121.394 3.318 . . . . 0.0 121.394 -169.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -142.0 -37.59 0.4 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.441 1.097 . . . . 0.0 112.775 164.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.94 -30.51 70.66 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -56.71 -42.44 79.14 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 160.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.09 -49.12 75.71 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -54.52 -47.18 73.42 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 170.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.4 -51.41 69.5 Favored 'General case' 0 CA--C 1.566 1.575 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 164.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tt -49.83 -43.54 48.89 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.33 -31.29 72.41 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -81.72 -40.64 22.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.52 -42.12 67.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.264 1.1 pt-20 -54.69 -41.88 70.75 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 164.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -63.21 -45.07 93.37 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 170.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.11 95.54 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 166.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.5 -53.45 56.23 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 165.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.3 77.49 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.74 72.45 5.26 Favored 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.472 1.487 . . . . 0.0 112.506 173.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 51.76 54.86 10.22 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.7 73.34 2.68 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 116.316 1.287 . . . . 0.0 116.316 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.59 157.06 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 119.744 3.238 . . . . 0.0 119.744 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -81.71 -11.6 58.98 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 158.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -136.23 125.13 24.12 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.67 1.577 . . . . 0.0 108.714 168.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -128.25 115.0 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -94.62 102.57 14.48 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.016 0.526 . . . . 0.0 110.746 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.55 105.22 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -116.74 107.15 14.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.489 -0.757 . . . . 0.0 109.431 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 17.1 tt -110.97 118.41 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 110.533 177.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -84.86 114.76 22.34 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 111.463 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.14 163.52 24.04 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -51.53 11.3 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 163.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -105.4 156.31 18.3 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.535 1.16 . . . . 0.0 112.879 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -55.34 -50.57 69.28 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.417 2.376 . . . . 0.0 117.417 172.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.9 -27.28 65.64 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.3 -37.52 85.87 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.01 1.732 . . . . 0.0 115.162 159.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.1 82.37 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 162.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -58.56 -49.42 77.48 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 163.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -54.63 -44.71 73.4 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 170.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.25 -35.29 79.83 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.56 -54.21 44.21 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.613 1.552 . . . . 0.0 115.022 159.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -53.06 -47.35 68.53 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.38 -53.64 54.05 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.75 -47.36 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-N 119.838 1.199 . . . . 0.0 113.352 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.21 -46.05 65.49 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.52 -46.84 76.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.58 -52.84 63.96 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.29 -41.49 97.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -57.63 -50.08 74.35 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 163.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.41 -43.64 79.54 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.6 -33.45 75.96 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -97.48 109.96 22.61 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.941 1.371 . . . . 0.0 109.807 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -85.05 -43.69 13.69 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -164.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -81.48 118.04 22.4 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 119.798 1.181 . . . . 0.0 109.715 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.1 mt -128.81 104.59 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -171.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -97.86 103.27 15.19 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.226 1.01 . . . . 0.0 110.93 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.0 t -97.63 123.16 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 123.391 0.676 . . . . 0.0 110.971 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -130.84 98.02 4.5 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.09 163.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.35 104.11 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -90.52 60.13 4.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.167 -0.958 . . . . 0.0 112.698 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.22 -76.98 0.59 Allowed Glycine 0 N--CA 1.493 2.468 0 O-C-N 121.008 -1.058 . . . . 0.0 114.948 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 p -95.23 -40.37 9.6 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.43 107.14 13.95 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.497 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -88.83 85.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -91.27 94.73 9.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.507 0.723 . . . . 0.0 109.627 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 69.9 mt -108.99 105.5 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -99.52 120.52 39.78 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.749 0.82 . . . . 0.0 110.437 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.0 m -106.78 134.81 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.629 -0.67 . . . . 0.0 112.607 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.92 150.41 38.54 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 121.733 0.778 . . . . 0.0 112.199 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 173.096 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 35.1 m170 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 119.136 -0.459 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt -94.02 122.28 36.37 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 119.498 1.044 . . . . 0.0 110.442 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -71.32 159.43 34.59 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -57.46 96.07 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.702 1.201 . . . . 0.0 114.047 -164.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.22 115.54 30.36 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mm -85.5 103.37 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.1 m -102.4 100.45 10.59 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.75 95.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -87.45 98.74 11.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.679 -0.638 . . . . 0.0 109.321 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.5 92.0 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.14 111.97 21.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.971 0.891 . . . . 0.0 110.833 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -88.55 -178.37 5.82 Favored 'General case' 0 CA--C 1.576 1.963 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.56 150.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.78 97.82 1.85 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 119.623 -1.923 . . . . 0.0 113.143 -166.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.81 41.65 97.43 Favored Glycine 0 CA--C 1.553 2.441 0 N-CA-C 117.847 1.899 . . . . 0.0 117.847 -162.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.8 94.97 1.6 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 118.822 1.311 . . . . 0.0 111.265 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -100.05 101.35 12.4 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.552 0.741 . . . . 0.0 111.257 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.14 103.33 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -109.93 127.65 54.88 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -169.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -129.9 124.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.77 120.36 41.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 123.399 0.68 . . . . 0.0 111.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mm -124.68 110.97 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.469 -0.769 . . . . 0.0 109.755 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -85.24 117.12 23.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.907 -1.12 . . . . 0.0 112.53 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.35 68.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-O 121.618 0.723 . . . . 0.0 112.175 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.429 ' OG ' ' OE2' ' A' ' 53' ' ' GLU . 40.0 t -109.85 85.54 2.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.696 -1.252 . . . . 0.0 109.997 169.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.348 1.8 t -152.37 -97.17 0.05 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.462 -166.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.56 -117.88 0.89 Allowed Glycine 0 N--CA 1.491 2.361 0 CA-C-N 121.606 2.003 . . . . 0.0 114.376 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -81.0 70.86 7.92 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 122.265 1.031 . . . . 0.0 111.573 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -149.65 -54.71 0.17 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 124.383 1.073 . . . . 0.0 110.388 -159.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -52.95 -32.91 48.5 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 164.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.05 -50.58 70.56 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 164.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -62.77 -43.36 99.02 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 171.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.32 -52.09 66.76 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 166.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.07 -44.23 67.35 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -58.88 -52.24 66.59 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -62.96 -36.03 82.11 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.34 -41.27 80.96 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 171.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.79 -55.75 10.63 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 120.133 1.333 . . . . 0.0 114.536 161.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -53.39 -37.79 62.79 Favored 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 167.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.53 88.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.16 -43.84 82.92 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 167.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.45 96.39 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 167.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -60.84 -42.23 97.37 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 166.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.56 66.56 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.0 75.56 0.85 Allowed Glycine 0 N--CA 1.492 2.406 0 CA-C-N 119.83 1.196 . . . . 0.0 114.319 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.43 137.56 32.6 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -167.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.16 -48.92 7.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -130.81 121.17 24.86 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 119.095 0.861 . . . . 0.0 109.429 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.27 106.05 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -91.55 90.24 7.53 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.346 0.594 . . . . 0.0 109.428 168.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -89.66 120.86 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 m -112.43 110.55 20.81 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 tt -97.72 105.71 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -81.19 85.44 6.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.0 111.72 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 149.88 26.33 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' OE2' ' OG ' ' A' ' 22' ' ' SER . 8.0 pt-20 -88.95 -22.81 22.87 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 -174.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -136.54 159.98 40.17 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 120.035 1.289 . . . . 0.0 110.932 173.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -56.84 -48.98 76.81 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -60.88 -47.51 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -59.45 -42.82 92.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.14 71.07 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 164.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.43 -47.44 81.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 168.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.12 -49.87 75.47 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.35 -39.84 94.68 Favored 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -46.82 -56.42 6.3 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 160.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.52 -46.8 88.83 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.46 -50.44 69.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 171.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.91 -49.76 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-N 119.463 1.029 . . . . 0.0 112.87 171.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.63 83.17 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -64.22 -43.54 94.66 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 120.97 1.714 . . . . 0.0 114.927 164.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.44 -53.41 51.77 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 171.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -29.73 61.73 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -62.0 -47.6 84.05 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.485 1.493 . . . . 0.0 114.502 161.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -52.16 -46.53 65.52 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 166.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.3 5.97 15.63 Favored 'General case' 0 CA--C 1.578 2.046 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 176.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.36 42.76 11.3 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -119.2 96.32 5.17 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.2 1.0 . . . . 0.0 108.562 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -83.73 -40.82 18.37 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 -163.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -84.73 89.1 7.43 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 120.59 1.541 . . . . 0.0 110.609 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -99.03 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -166.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -111.11 101.11 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.488 0.661 . . . . 0.0 109.933 -170.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.62 131.66 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -126.5 118.57 25.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.537 -0.727 . . . . 0.0 109.29 160.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.2 t -91.26 115.58 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -86.55 75.47 9.72 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.191 -0.943 . . . . 0.0 111.126 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.2 -84.17 0.61 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.369 -0.832 . . . . 0.0 114.239 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.5 p -105.72 -23.41 12.74 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 167.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -82.05 115.29 21.12 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 120.415 1.461 . . . . 0.0 111.33 -167.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -91.79 105.38 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 121.109 -0.994 . . . . 0.0 109.11 -169.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -93.28 93.07 8.01 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.065 0.546 . . . . 0.0 110.645 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.4 mt -91.42 113.8 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.846 0.831 . . . . 0.0 108.771 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -103.38 104.07 14.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.99 0.916 . . . . 0.0 110.018 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.5 m -103.11 114.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.398 0.618 . . . . 0.0 110.969 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -106.47 132.59 52.31 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.453 0.701 . . . . 0.0 111.059 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.42 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 119.555 -0.26 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -83.57 130.63 35.0 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 119.026 0.83 . . . . 0.0 112.069 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.7 -72.95 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.621 -0.674 . . . . 0.0 109.47 163.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -133.06 95.7 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.03 112.16 19.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.515 -0.741 . . . . 0.0 110.299 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.0 mt -96.93 84.44 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -100.16 106.27 17.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.94 0.876 . . . . 0.0 108.93 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 mm -116.04 100.11 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -167.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -98.3 103.65 15.62 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 122.236 1.017 . . . . 0.0 110.211 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -87.51 94.86 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.31 98.55 5.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.492 1.139 . . . . 0.0 109.698 168.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.73 72.89 1.14 Allowed 'General case' 0 CA--C 1.567 1.628 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.468 -168.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.279 5.9 m-20 52.7 61.9 2.96 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.71 31.83 14.62 Favored Glycine 0 CA--C 1.553 2.435 0 N-CA-C 118.761 2.264 . . . . 0.0 118.761 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -162.39 106.85 1.17 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.686 1.743 . . . . 0.0 110.484 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.256 1.9 pm0 -84.02 118.88 24.34 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 119.596 1.089 . . . . 0.0 113.211 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.66 101.75 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -78.67 121.87 25.24 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.295 1.045 . . . . 0.0 113.581 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -112.65 100.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -103.3 77.89 1.56 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 122.919 1.342 . . . . 0.0 112.945 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 pt -99.22 81.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-O 122.159 0.981 . . . . 0.0 110.653 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 127.39 33.02 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -120.43 157.02 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 121.898 0.856 . . . . 0.0 112.841 -162.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -89.27 18.39 5.18 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 164.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.433 42.0 p 75.41 -121.4 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 125.382 1.473 . . . . 0.0 112.088 -174.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 35.82 60.26 0.83 Allowed Glycine 0 N--CA 1.502 3.08 0 N-CA-C 121.802 3.481 . . . . 0.0 121.802 173.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.324 57.5 mttm 64.62 -9.43 0.18 Allowed 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.291 3.071 . . . . 0.0 119.291 -168.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.36 -44.61 94.31 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.903 1.683 . . . . 0.0 114.26 165.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.41 -41.62 72.98 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.02 -53.84 53.48 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -52.95 -52.04 59.33 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.13 32.74 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 175.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 tp -53.6 -44.75 69.69 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.09 -49.2 73.21 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -72.63 -36.42 68.02 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.37 -43.5 88.45 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 167.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -49.87 -50.69 44.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -60.56 -52.0 67.03 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.92 99.12 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.51 -48.72 78.5 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 170.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.98 85.54 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 170.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -69.45 -42.97 74.23 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.12 -31.3 70.8 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.83 72.7 1.05 Allowed Glycine 0 N--CA 1.488 2.159 0 CA-C-N 119.729 1.15 . . . . 0.0 114.427 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.43 120.56 35.89 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -58.07 3.5 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.02 114.8 29.22 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.27 96.43 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.51 90.17 8.14 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 123.381 0.673 . . . . 0.0 110.486 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.3 mt -91.71 105.79 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -112.89 107.63 16.28 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.0 105.27 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -92.28 101.69 14.18 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.728 0.775 . . . . 0.0 111.646 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.17 160.88 13.95 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -170.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -61.86 -50.88 70.49 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -130.5 161.63 31.03 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 123.152 1.453 . . . . 0.0 110.66 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -58.13 -38.78 77.19 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 170.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -54.66 -50.07 69.08 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 166.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -55.86 -52.07 65.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 165.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.72 -41.08 66.65 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.543 2.424 . . . . 0.0 117.543 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.29 -55.64 32.25 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.37 -41.6 89.69 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.53 -48.76 79.58 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.9 tp -44.7 -53.22 7.52 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 162.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.21 -46.41 89.04 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -56.19 -48.87 75.52 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -61.65 -52.31 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 CA-C-N 119.538 1.063 . . . . 0.0 112.891 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.23 -46.17 69.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 171.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.2 -45.44 87.58 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 166.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -56.61 -52.05 66.35 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 169.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.81 -33.77 62.27 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -56.29 -45.81 80.05 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 157.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.42 -46.77 88.73 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.06 -45.37 95.05 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.99 56.73 0.25 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 115.828 1.091 . . . . 0.0 115.828 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -112.38 148.26 34.67 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.566 0.698 . . . . 0.0 111.357 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.02 -46.33 2.53 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.32 84.43 7.63 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 120.584 1.538 . . . . 0.0 110.065 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.8 mt -100.73 105.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -167.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.54 91.64 3.73 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.704 0.764 . . . . 0.0 109.645 -170.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.97 123.87 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.626 0 C-N-CA 123.714 0.806 . . . . 0.0 112.16 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -140.0 91.27 2.45 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.66 120.69 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 112.021 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.34 70.75 5.19 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.304 -0.873 . . . . 0.0 110.635 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.47 -81.75 0.6 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.794 -1.192 . . . . 0.0 114.401 -168.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.8 p -112.72 -2.99 14.33 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.15 97.08 10.13 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.41 1.459 . . . . 0.0 110.502 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.3 84.87 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.57 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -81.83 104.63 12.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.868 -0.52 . . . . 0.0 110.131 170.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.99 103.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 165.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -93.82 109.78 21.45 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 122.772 0.429 . . . . 0.0 110.116 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.8 m -104.94 131.09 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.485 0.66 . . . . 0.0 111.272 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -111.19 140.16 45.98 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 122.848 1.308 . . . . 0.0 108.975 174.041 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 49.5 m80 . . . . . 0 CA--C 1.56 1.343 0 CA-C-O 122.228 1.013 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 32.5 ttm -85.31 124.08 31.51 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 123.887 0.875 . . . . 0.0 110.998 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.29 86.0 mttt -81.96 -78.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -163.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 t -130.76 70.3 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.688 1.131 . . . . 0.0 108.482 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 99.49 10.12 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.6 pt -94.49 102.05 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 124.053 0.941 . . . . 0.0 109.777 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -85.08 98.83 10.66 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.807 0.843 . . . . 0.0 109.301 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -109.74 97.52 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -107.54 110.97 23.02 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.697 0.761 . . . . 0.0 109.349 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.22 102.67 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -168.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -80.98 105.27 12.08 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.579 -0.7 . . . . 0.0 112.448 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -93.64 71.35 4.24 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.8 OUTLIER 50.22 88.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.618 1.567 . . . . 0.0 114.798 -168.462 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 -44.96 3.14 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 -167.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -81.44 92.65 6.49 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.052 0.941 . . . . 0.0 112.634 -169.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -68.9 94.34 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 123.423 0.689 . . . . 0.0 111.514 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 mm -88.08 105.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -101.23 112.45 24.94 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -164.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.31 89.24 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.621 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 97.59 7.41 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.347 0.659 . . . . 0.0 109.415 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 pt -138.66 148.84 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.7 0.762 . . . . 0.0 112.413 -163.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.12 103.13 15.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 0.0 110.845 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.13 54.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 CA-C-O 121.536 0.684 . . . . 0.0 112.442 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.0 p -90.53 76.55 6.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.377 -1.452 . . . . 0.0 112.039 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.1 114.78 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -166.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.65 139.98 39.99 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 116.396 1.318 . . . . 0.0 116.396 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.327 0.0 OUTLIER 70.94 -53.17 0.68 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -170.248 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -48.82 -42.72 37.03 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.269 1.4 pt? -56.27 -34.59 66.58 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 172.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -63.94 -44.52 92.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -55.41 -45.01 76.71 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.09 79.07 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 165.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.8 tp -49.63 -45.02 47.84 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.83 -48.59 79.86 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 172.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.06 -41.68 98.39 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 167.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.6 mt -62.1 -45.08 95.09 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -49.36 70.87 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 166.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -59.72 -43.27 94.23 Favored 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 169.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.65 71.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.29 -36.92 76.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 161.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -42.33 69.81 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 163.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -73.13 65.82 0.82 Allowed 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 120.929 1.695 . . . . 0.0 112.98 167.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.76 -63.65 0.09 Allowed 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.32 76.62 0.65 Allowed Glycine 0 N--CA 1.492 2.423 0 CA-C-N 119.247 0.93 . . . . 0.0 113.601 -164.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.29 143.05 45.85 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -165.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -102.79 -56.08 2.31 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.41 171.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.53 113.69 27.03 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 120.574 1.534 . . . . 0.0 110.167 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.26 98.94 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.01 109.94 18.86 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.394 0.616 . . . . 0.0 112.512 -171.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -106.43 109.61 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -106.84 110.37 22.52 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 118.304 0.502 . . . . 0.0 110.176 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.0 112.92 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.574 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -91.89 120.68 32.8 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.114 0.565 . . . . 0.0 112.013 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.63 171.84 7.91 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.91 -46.36 36.41 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.569 -1.332 . . . . 0.0 114.235 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -125.33 173.08 9.08 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 124.663 1.185 . . . . 0.0 110.079 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.03 -47.65 84.45 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 170.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.72 -39.7 85.53 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -54.66 -51.43 65.49 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 166.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.91 90.49 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 169.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -61.46 -41.61 97.49 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.9 -45.21 78.68 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 167.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.8 -34.94 78.33 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.97 -51.36 30.9 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 160.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.74 -54.14 50.44 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 119.206 0.912 . . . . 0.0 113.339 168.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.37 -49.77 71.44 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 mt -66.16 -50.2 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 CA-C-N 119.869 1.213 . . . . 0.0 112.274 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.53 76.01 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -49.22 -43.83 42.9 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 164.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.36 -52.03 66.36 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 167.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.88 -38.32 79.59 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -38.12 88.37 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 164.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -57.32 -40.88 78.85 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.45 -52.91 63.19 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 120.15 1.341 . . . . 0.0 114.546 161.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.59 0.55 Allowed Glycine 0 N--CA 1.486 1.981 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.3 131.53 35.23 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.697 1.249 . . . . 0.0 111.281 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -90.67 -42.56 10.67 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.22 125.11 29.03 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 119.556 1.071 . . . . 0.0 110.216 166.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.0 mt -135.04 94.73 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.78 117.9 35.82 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.597 0.759 . . . . 0.0 110.405 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.46 112.3 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.277 -0.89 . . . . 0.0 108.771 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -111.93 114.29 27.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.64 -0.662 . . . . 0.0 109.72 171.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 t -100.36 104.51 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -90.9 78.21 6.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.236 -0.915 . . . . 0.0 110.668 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.83 -94.04 0.96 Allowed Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.481 -0.762 . . . . 0.0 113.937 -172.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . 0.262 8.9 t -125.75 49.6 1.93 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 122.738 1.256 . . . . 0.0 112.415 163.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.66 101.47 6.41 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.48 101.43 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -86.39 108.1 18.32 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 165.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.0 mt -98.33 103.15 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.698 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 165.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 105.75 16.75 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.091 1.356 . . . . 0.0 109.071 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.9 142.4 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.588 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -123.85 153.91 40.39 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.574 1.178 . . . . 0.0 110.287 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.495 1.795 0 O-C-N 120.898 -1.126 . . . . 0.0 110.33 -169.87 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 . . . . . 0 CA--C 1.561 1.382 0 CA-C-O 121.822 0.82 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.1 ttm -77.51 111.35 13.14 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 123.595 0.758 . . . . 0.0 110.552 172.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tpmp? -147.86 139.12 23.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -168.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -77.19 90.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 164.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.09 114.09 15.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -166.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.256 45.2 pt -115.24 100.66 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 CA-C-O 121.622 0.725 . . . . 0.0 109.127 -162.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -104.72 93.63 4.85 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.26 99.56 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.306 13.6 ptmm? -105.77 114.05 27.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 122.815 1.293 . . . . 0.0 111.472 -171.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -107.0 104.48 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -158.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -102.12 134.02 46.04 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-O 122.568 1.175 . . . . 0.0 111.821 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -104.32 49.86 0.81 Allowed 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.67 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.296 16.2 m-20 42.55 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -163.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.91 -74.09 0.34 Allowed Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.935 -0.478 . . . . 0.0 113.404 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.84 122.5 26.16 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 117.442 0.621 . . . . 0.0 111.82 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -125.33 107.95 11.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.83 0.852 . . . . 0.0 110.358 -159.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.49 103.65 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.223 -0.923 . . . . 0.0 109.078 -166.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.42 114.23 21.75 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -106.79 101.37 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.14 95.51 5.83 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 121.565 0.698 . . . . 0.0 112.236 -164.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -121.56 148.33 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 C-N-CA 124.385 1.074 . . . . 0.0 109.811 -166.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 139.96 48.57 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 119.5 -2.0 . . . . 0.0 111.039 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.88 76.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-O 121.687 0.756 . . . . 0.0 110.278 -166.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -82.64 41.41 0.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -176.78 152.09 0.94 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.904 -1.123 . . . . 0.0 111.232 -152.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 138.27 35.56 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.092 1.197 . . . . 0.0 116.092 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.476 57.4 mttm 72.59 -20.35 0.27 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 119.93 3.307 . . . . 0.0 119.93 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.55 -48.12 78.8 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.109 1.777 . . . . 0.0 113.495 154.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.28 -46.08 69.16 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 168.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -54.63 44.28 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mtm105 -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.67 72.59 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -53.87 -46.75 71.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.22 -50.82 72.2 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.42 -36.08 73.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.14 -43.09 95.98 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 121.229 1.832 . . . . 0.0 115.174 168.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -50.42 -53.37 29.99 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 162.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -49.81 74.75 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 170.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.99 99.57 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.8 -46.91 87.48 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.57 78.5 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 167.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.71 -47.32 86.8 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 168.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.01 -43.35 62.22 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.53 72.05 1.06 Allowed Glycine 0 N--CA 1.49 2.265 0 CA-C-N 120.123 1.329 . . . . 0.0 115.337 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.34 143.67 33.19 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -96.27 -19.42 19.29 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -169.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -136.78 109.1 7.3 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.833 2.106 . . . . 0.0 110.021 161.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -111.85 111.55 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.385 -0.822 . . . . 0.0 108.945 -165.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -101.18 98.36 8.78 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.311 0.645 . . . . 0.0 110.589 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -89.94 110.29 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -98.06 126.85 43.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.45 111.28 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 170.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 t -73.53 123.69 24.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.945 162.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.13 25.37 Favored 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.98 -20.05 56.55 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 172.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -140.44 167.89 21.08 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 119.979 1.263 . . . . 0.0 110.572 165.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -63.3 -40.59 97.76 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 168.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.14 -40.92 82.53 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 164.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -56.84 -47.2 80.88 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 162.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -39.29 65.04 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -57.68 -54.1 50.72 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 166.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.99 -41.54 90.94 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.54 -40.46 94.74 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.67 -50.23 55.25 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 162.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.14 -43.28 99.17 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 mt -55.21 -37.76 67.55 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.786 2.084 . . . . 0.0 116.088 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.86 -58.97 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 CA-C-N 119.928 1.24 . . . . 0.0 111.614 165.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.15 71.04 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 169.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.97 -52.46 60.6 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 121.572 1.987 . . . . 0.0 114.985 160.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 90' ' ' VAL . 77.6 mt -59.94 -44.79 94.14 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -62.05 -42.92 99.69 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 165.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -48.2 80.35 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.96 -37.51 85.0 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.55 43.95 3.82 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -76.12 143.16 41.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.388 1.094 . . . . 0.0 111.914 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -56.37 3.08 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.18 85.62 3.25 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 121.347 0.594 . . . . 0.0 109.702 -163.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.02 111.18 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -164.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -112.21 119.55 38.73 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 123.917 0.887 . . . . 0.0 110.484 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.08 132.31 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -134.83 89.98 2.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.13 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.58 99.8 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.2 73.48 2.19 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 121.549 0.69 . . . . 0.0 109.72 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.27 -99.35 0.63 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.6 p -92.82 -19.96 21.2 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.68 105.22 6.6 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 120.032 1.287 . . . . 0.0 110.952 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.69 97.56 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -114.49 105.23 12.85 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.044 0.538 . . . . 0.0 110.234 -171.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -112.51 112.14 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -91.8 123.9 35.53 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.22 0.608 . . . . 0.0 110.127 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 69' ' ' LEU . 35.6 m -118.21 124.2 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.606 -0.684 . . . . 0.0 112.208 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -95.26 147.48 23.43 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.36 1.076 . . . . 0.0 113.076 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.625 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 CA--C 1.559 1.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.4 mtt -72.72 120.07 17.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.717 -0.614 . . . . 0.0 111.303 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -67.99 0.6 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.935 0.894 . . . . 0.0 111.958 -170.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.5 t -122.78 73.87 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.26 98.84 10.05 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.525 0.679 . . . . 0.0 110.214 -166.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -83.19 103.75 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -101.09 103.79 14.89 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.92 127.91 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 14.3 ptpt -125.81 131.53 52.43 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.286 1.041 . . . . 0.0 113.706 160.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.0 mt -110.62 89.55 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -163.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.283 0.1 OUTLIER -87.74 121.1 29.75 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.522 1.056 . . . . 0.0 110.958 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -120.01 -134.63 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.237 1.015 . . . . 0.0 110.782 -169.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.77 90.62 1.87 Allowed 'General case' 0 CA--C 1.572 1.802 0 O-C-N 120.959 -1.088 . . . . 0.0 111.071 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.87 27.09 63.88 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 120.515 2.966 . . . . 0.0 120.515 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -163.5 132.99 4.09 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 119.299 1.55 . . . . 0.0 110.065 -161.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.05 132.34 54.45 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.75 112.67 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.24 128.73 53.57 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.8 mm -136.83 112.82 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.85 126.33 52.05 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.356 0.98 . . . . 0.0 111.068 164.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.91 116.44 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.341 -0.849 . . . . 0.0 109.657 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.43 103.56 15.47 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.341 0.656 . . . . 0.0 112.444 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.2 m -116.43 78.56 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.558 0.694 . . . . 0.0 110.058 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -71.06 86.76 0.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -153.13 141.41 20.57 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.178 -154.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.28 -61.82 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.61 3.77 10.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.261 24.4 mm-40 -84.61 -17.75 37.71 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.541 1.973 . . . . 0.0 116.128 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.92 -30.09 32.31 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 158.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.06 -49.16 3.38 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 164.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HD2' ' H ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -67.21 -49.46 64.48 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.91 81.14 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 167.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.78 -42.33 79.23 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -68.07 -38.65 82.65 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 167.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -58.43 -43.59 88.78 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 120.741 1.61 . . . . 0.0 115.296 165.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.04 -42.33 98.28 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 165.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -54.03 51.41 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -43.35 -53.11 5.5 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 163.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.59 81.05 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.37 -50.88 72.06 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.05 -42.82 86.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -68.54 -34.52 75.99 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 169.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.53 -51.95 20.81 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.69 76.51 0.73 Allowed Glycine 0 N--CA 1.493 2.47 0 CA-C-N 119.831 1.196 . . . . 0.0 115.424 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.3 155.34 24.23 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -167.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtp-105 -75.83 -72.49 0.31 Allowed 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -118.83 98.41 6.19 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.43 111.07 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 -169.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -83.3 98.35 9.38 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.758 0.423 . . . . 0.0 110.252 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.501 HD12 HD21 ' A' ' 69' ' ' LEU . 42.1 mt -91.76 110.61 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 167.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.5 m -116.24 144.52 44.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.69 0.796 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.13 118.06 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.351 -0.843 . . . . 0.0 108.92 162.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.3 t -81.57 94.77 6.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.936 -0.477 . . . . 0.0 110.759 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.43 165.24 15.05 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.52 -44.36 74.8 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -133.21 160.76 36.31 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.123 0.963 . . . . 0.0 111.536 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -58.83 -43.48 90.68 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 169.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.36 -41.42 93.64 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.14 -49.72 75.04 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -29.83 40.85 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 168.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -59.49 4.44 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.017 1.735 . . . . 0.0 113.705 171.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -68.71 -27.31 65.83 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 171.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.57 -39.03 91.19 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-N 121.613 2.006 . . . . 0.0 115.397 163.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.12 -58.21 6.04 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 162.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.71 -44.37 96.67 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 170.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.48 -45.96 66.35 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 122.463 2.392 . . . . 0.0 115.964 170.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.73 -53.86 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.077 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.736 168.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.11 -45.72 68.39 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-N 122.129 2.24 . . . . 0.0 117.045 174.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -51.44 -46.62 63.05 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 166.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.64 -55.0 40.49 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.618 HD22 HG11 ' A' ' 90' ' ' VAL . 66.4 mt -56.84 -41.16 77.38 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.66 -40.5 97.24 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 168.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.62 -41.94 77.96 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 165.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.98 39.46 3.55 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 116.959 1.543 . . . . 0.0 116.959 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.17 146.19 23.85 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.744 0.783 . . . . 0.0 111.607 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.98 -51.12 3.1 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -86.92 93.46 9.33 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 120.263 1.392 . . . . 0.0 108.588 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -88.81 87.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -94.37 87.97 5.37 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 122.046 0.926 . . . . 0.0 110.74 -163.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.13 121.86 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 123.531 0.732 . . . . 0.0 111.467 -164.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -128.46 99.42 5.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 63.0 t -91.41 103.46 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.125 -0.984 . . . . 0.0 108.796 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -99.39 82.62 2.7 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.701 0.762 . . . . 0.0 109.959 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.32 -104.64 1.47 Allowed Glycine 0 N--CA 1.49 2.266 0 O-C-N 121.645 -0.659 . . . . 0.0 113.84 -171.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 p -104.18 -0.95 27.88 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.27 114.55 6.07 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.246 1.839 . . . . 0.0 111.267 162.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -93.84 75.08 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -91.12 96.99 10.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.857 -1.152 . . . . 0.0 111.192 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.8 mt -106.71 106.37 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -85.22 110.59 19.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 170.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.618 HG11 HD22 ' A' ' 69' ' ' LEU . 18.3 m -96.61 137.91 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.4 -0.813 . . . . 0.0 113.156 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -128.4 140.19 51.98 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.511 0.672 . . . . 0.0 110.598 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 120.946 -1.096 . . . . 0.0 109.237 -171.247 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.9 mmt -76.78 149.97 36.22 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 119.706 1.139 . . . . 0.0 113.153 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.55 -177.38 5.9 Favored 'General case' 0 CA--C 1.575 1.925 0 O-C-N 121.11 -0.994 . . . . 0.0 111.995 171.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 50' ' ' ILE . 23.4 t -70.99 95.86 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.706 -1.246 . . . . 0.0 110.529 175.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.29 84.47 6.86 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.55 0.69 . . . . 0.0 109.609 170.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.85 111.58 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.9 p -110.91 114.58 28.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -172.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.44 98.26 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -90.09 101.92 14.63 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 121.844 -0.535 . . . . 0.0 109.565 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.62 107.67 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -98.7 118.51 35.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.423 -0.798 . . . . 0.0 111.308 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 82.32 1.75 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 25.92 64.19 0.07 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.84 -54.16 0.73 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -163.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -80.25 101.3 8.8 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 118.275 1.038 . . . . 0.0 111.943 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 104.37 16.07 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.378 0.671 . . . . 0.0 110.775 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mm -101.06 99.38 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -174.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -89.9 116.28 27.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.069 0.548 . . . . 0.0 112.001 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.52 110.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.63 147.55 27.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.044 -1.035 . . . . 0.0 112.084 160.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 43.4 pt -126.13 97.8 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 148.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -79.6 95.8 5.98 Favored 'General case' 0 CA--C 1.569 1.7 0 CA-C-O 121.847 0.832 . . . . 0.0 112.829 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -116.96 128.46 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.529 -0.732 . . . . 0.0 110.487 -158.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -113.52 72.76 0.79 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.285 -0.885 . . . . 0.0 112.743 171.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.3 p -155.23 147.61 23.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.906 -0.496 . . . . 0.0 111.463 -165.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.66 -97.33 0.09 OUTLIER Glycine 0 N--CA 1.492 2.389 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -76.38 -10.63 59.55 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.2 -35.75 79.82 Favored 'General case' 0 CA--C 1.575 1.916 0 O-C-N 120.406 -1.434 . . . . 0.0 114.825 160.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.74 -43.79 98.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.84 -52.13 51.6 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 164.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -64.14 -41.56 97.14 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 173.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.66 97.36 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.14 -42.79 91.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 166.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.29 -44.34 75.6 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 165.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.82 -40.36 88.01 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 167.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.93 -43.18 81.21 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -55.28 20.97 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 164.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -50.09 62.48 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 168.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.01 87.9 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 172.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.08 92.72 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -65.15 -39.04 92.42 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.89 6.49 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 64.65 2.63 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.87 149.87 22.47 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.42 -55.63 16.97 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -113.16 126.53 55.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.72 114.85 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -112.47 94.39 4.9 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-O 122.126 0.965 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.16 127.22 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 123.881 0.873 . . . . 0.0 108.682 -167.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.4 m -127.18 117.76 22.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 119.452 1.024 . . . . 0.0 109.456 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -111.17 113.52 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.298 0.639 . . . . 0.0 110.297 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.2 t -76.28 95.34 3.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.567 166.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.6 151.53 23.37 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -70.98 -43.5 67.92 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -126.93 156.05 42.12 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.086 0.954 . . . . 0.0 111.214 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.58 -43.01 89.32 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.62 -40.0 93.27 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 167.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -60.82 -43.82 97.71 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 166.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.78 69.75 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 165.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.44 -54.88 34.91 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.56 -49.12 73.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.89 -39.26 91.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -52.98 -55.44 23.53 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 165.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.19 -44.39 95.12 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 170.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.6 tp -66.28 -46.61 76.41 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.4 -44.93 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-N 120.193 1.361 . . . . 0.0 112.013 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.48 74.39 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 169.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -55.63 -43.52 76.26 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 167.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.53 -52.9 63.01 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 167.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.03 -34.93 78.78 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.01 -47.95 81.5 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 159.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -45.71 84.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.68 -43.86 80.86 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 165.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.74 39.64 2.15 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -92.75 121.3 34.01 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.474 1.137 . . . . 0.0 110.458 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.55 -48.59 10.83 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -89.99 107.66 19.25 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 119.827 1.194 . . . . 0.0 109.218 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mt -116.26 95.95 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -169.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.51 109.0 20.28 Favored 'General case' 0 CA--C 1.566 1.595 0 O-C-N 121.371 -0.831 . . . . 0.0 110.706 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.45 113.25 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.456 -0.778 . . . . 0.0 109.219 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -123.73 76.25 1.41 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.423 0.689 . . . . 0.0 110.712 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.35 126.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.531 -1.356 . . . . 0.0 110.762 -168.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -106.42 84.94 2.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.41 0.624 . . . . 0.0 110.137 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.39 -101.95 1.04 Allowed Glycine 0 N--CA 1.492 2.428 0 O-C-N 121.362 -0.836 . . . . 0.0 114.965 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -97.56 -6.83 32.64 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.33 95.72 4.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.652 1.569 . . . . 0.0 110.192 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.42 103.65 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -98.71 122.38 41.87 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.434 169.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.3 mt -108.31 110.72 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 163.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -102.28 95.38 6.26 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.901 1.28 . . . . 0.0 109.079 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -96.75 141.16 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.264 -0.898 . . . . 0.0 112.826 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.82 143.71 50.93 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 123.481 1.61 . . . . 0.0 108.433 172.38 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 61.8 mtt -102.16 158.29 16.28 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.896 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -124.14 -166.35 1.48 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.218 -0.926 . . . . 0.0 111.104 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -75.97 116.17 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.2 -1.563 . . . . 0.0 110.906 -167.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.79 114.18 26.66 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.66 0.784 . . . . 0.0 110.444 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mm -98.03 103.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 164.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -106.14 105.1 14.97 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 119.635 1.107 . . . . 0.0 109.41 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.61 108.87 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -170.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -92.84 104.09 16.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.649 -0.657 . . . . 0.0 109.893 170.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.86 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -95.91 86.71 4.41 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.299 1.047 . . . . 0.0 109.96 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -73.44 -47.83 38.46 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -177.631 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.48 -132.54 0.21 Allowed 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 157.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 42.42 1.16 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 118.052 1.981 . . . . 0.0 118.052 173.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -146.95 102.67 3.55 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.95 119.58 33.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -101.41 107.82 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.48 121.63 27.01 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 122.106 0.955 . . . . 0.0 113.181 173.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -117.37 106.36 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.265 25.7 p-10 -106.41 93.21 4.48 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 122.731 1.253 . . . . 0.0 113.061 -176.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.6 mt -93.39 109.36 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 C-N-CA 124.219 1.008 . . . . 0.0 108.473 -170.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -106.45 127.36 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.808 -0.558 . . . . 0.0 110.701 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.354 60.4 t 88.11 100.0 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 124.766 1.227 . . . . 0.0 108.168 -162.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 m -157.05 88.49 1.03 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.27 7.5 t -106.63 -64.5 1.17 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -166.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.86 -87.28 0.33 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.784 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -59.66 -43.09 94.07 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.46 -32.53 74.0 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 167.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.88 -45.61 89.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 161.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.06 -45.78 82.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 167.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -53.41 -54.36 37.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 169.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -57.27 13.77 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.67 -42.8 89.3 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.13 -41.16 64.28 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -58.99 -44.28 91.6 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.163 1.801 . . . . 0.0 114.818 168.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.15 -51.76 68.01 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 167.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -42.39 98.62 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 173.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -58.29 -49.62 76.49 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.383 1.624 . . . . 0.0 115.383 167.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.97 97.59 Favored 'General case' 0 CA--C 1.569 1.677 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.45 65.61 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.619 1.099 . . . . 0.0 113.958 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.54 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -80.98 50.13 1.34 Allowed 'General case' 0 CA--C 1.58 2.127 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.41 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.65 1.18 . . . . 0.0 111.682 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.47 72.02 1.3 Allowed Glycine 0 N--CA 1.491 2.307 0 CA-C-N 119.265 0.939 . . . . 0.0 114.982 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.43 129.29 37.44 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -66.75 -48.44 69.12 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -131.85 131.52 42.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.64 1.109 . . . . 0.0 111.749 171.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.81 111.95 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -102.53 106.95 17.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.693 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -104.4 111.15 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.7 107.19 19.02 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 162.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -101.42 108.23 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.586 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 171.32 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -88.11 108.3 19.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 111.156 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.61 153.29 22.49 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.58 -34.53 62.91 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -136.54 172.75 12.55 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.906 1.336 . . . . 0.0 113.518 171.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.51 -38.65 87.68 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.03 -40.36 90.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 170.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -51.77 -49.36 62.81 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 158.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.28 -29.28 60.94 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -60.97 -62.2 2.03 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 121.197 1.817 . . . . 0.0 113.621 166.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.85 -37.41 79.2 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.93 -34.57 76.86 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 171.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.12 -54.01 51.8 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 157.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.69 -57.69 11.64 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 116.899 -1.525 . . . . 0.0 114.147 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.6 mt -43.35 -37.52 2.31 Favored 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.1 mt -72.15 -59.45 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.887 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.946 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.7 74.24 Favored 'General case' 0 CA--C 1.58 2.133 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -51.5 -42.26 61.57 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 126.445 1.898 . . . . 0.0 115.882 162.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.8 tp -65.69 -50.7 63.95 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 165.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.76 -38.7 79.03 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.61 -42.22 96.39 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 164.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -63.73 -45.96 87.56 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.59 -47.05 87.91 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.42 51.38 0.58 Allowed Glycine 0 N--CA 1.488 2.156 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -121.67 108.55 13.68 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -66.72 -41.14 88.4 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -95.11 98.84 10.94 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -165.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -115.34 95.66 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -90.96 108.05 19.6 Favored 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 123.693 0.797 . . . . 0.0 110.617 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 62.6 t -104.57 120.47 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.23 0.612 . . . . 0.0 110.281 -167.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.86 111.2 18.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.466 -0.771 . . . . 0.0 109.291 161.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.06 101.45 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -97.45 78.59 2.69 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.685 0.755 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.19 -108.95 2.64 Favored Glycine 0 N--CA 1.492 2.42 0 O-C-N 121.492 -0.755 . . . . 0.0 113.612 -168.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.6 p -98.46 -5.55 32.18 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.76 104.72 4.06 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.176 1.353 . . . . 0.0 110.922 168.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.4 t -94.14 100.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.25 110.94 23.35 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 121.408 0.623 . . . . 0.0 110.508 -174.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.6 mm -111.87 107.27 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -171.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.7 115.89 29.72 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.695 1.236 . . . . 0.0 110.53 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.92 142.45 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.822 0.849 . . . . 0.0 110.906 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -132.02 157.13 44.91 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-O 122.019 0.914 . . . . 0.0 110.757 160.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.497 1.923 0 O-C-N 120.444 -1.41 . . . . 0.0 107.493 168.253 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 24.6 m80 . . . . . 0 CA--C 1.559 1.292 0 CA-C-O 121.237 0.541 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -77.55 87.28 3.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 110.276 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -78.68 -52.68 8.07 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.3 t -121.57 89.53 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 167.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.12 102.52 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 161.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.47 107.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.672 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 172.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -115.27 105.13 12.52 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -156.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.41 110.37 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.44 -158.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -95.27 102.12 13.9 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.191 0.519 . . . . 0.0 109.78 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.2 mt -93.2 100.64 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.62 114.14 27.01 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.9 0.857 . . . . 0.0 110.705 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.53 55.69 3.67 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 121.485 -0.76 . . . . 0.0 111.22 171.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.26 5.4 t70 56.58 83.71 0.1 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.102 1.361 . . . . 0.0 112.962 -165.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 -54.04 4.84 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.934 1.534 . . . . 0.0 116.934 -168.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -65.43 111.55 3.12 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -173.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -110.5 139.89 45.31 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -159.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.2 mt -133.01 117.5 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 162.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -85.19 128.51 34.7 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.3 0.572 . . . . 0.0 112.015 164.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.5 mt -122.16 117.44 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -91.33 103.31 15.98 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.78 91.73 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.601 -1.312 . . . . 0.0 108.764 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -103.04 111.73 24.22 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.456 1.102 . . . . 0.0 112.453 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.56 140.86 47.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.995 0 C-N-CA 123.845 0.858 . . . . 0.0 110.196 -162.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -135.9 105.61 6.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 109.671 167.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 t -154.96 -174.43 4.98 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.94 0.876 . . . . 0.0 112.751 -168.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.04 -93.61 0.6 Allowed Glycine 0 N--CA 1.49 2.253 0 O-C-N 121.252 -0.905 . . . . 0.0 112.657 159.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -82.98 -32.9 26.78 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.18 -8.95 1.23 Allowed 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 121.282 3.808 . . . . 0.0 121.282 -156.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.4 -51.72 18.99 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 151.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -29.92 -56.86 0.18 Allowed 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 164.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -73.79 -39.13 64.35 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.88 97.71 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 164.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.79 -37.55 79.41 Favored 'General case' 0 CA--C 1.576 1.962 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -64.01 -31.9 73.25 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 164.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -67.81 -37.62 82.21 Favored 'General case' 0 CA--C 1.576 1.977 0 O-C-N 120.035 -1.666 . . . . 0.0 114.727 160.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.46 -44.53 92.98 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -56.84 -48.73 77.36 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-N 120.9 1.682 . . . . 0.0 115.533 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -51.73 -54.7 25.56 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 164.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.69 85.66 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.74 -47.15 84.79 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.38 76.33 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 168.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -79.73 59.66 3.15 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-N 119.382 0.992 . . . . 0.0 113.288 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.08 -54.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.456 1.102 . . . . 0.0 112.643 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.23 57.09 1.4 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 116.224 1.25 . . . . 0.0 116.224 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.56 138.13 31.74 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 121.995 0.902 . . . . 0.0 112.894 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -89.38 -50.69 5.97 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.586 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -106.54 146.66 30.35 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 121.649 0.738 . . . . 0.0 109.949 163.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.59 104.48 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 168.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -96.62 74.92 2.78 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.628 1.204 . . . . 0.0 110.819 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.21 133.82 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 C-N-CA 124.079 0.952 . . . . 0.0 111.074 -167.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -129.55 122.54 29.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.906 -1.121 . . . . 0.0 110.786 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.81 112.61 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.792 -0.568 . . . . 0.0 109.809 175.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -75.8 101.22 5.01 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.546 -0.721 . . . . 0.0 110.998 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.79 147.38 26.55 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 122.208 1.004 . . . . 0.0 113.591 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.45 -43.27 60.66 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.74 169.88 17.02 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.022 0.929 . . . . 0.0 111.814 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -57.45 -54.63 44.68 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 174.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.5 -36.95 85.48 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.83 -55.41 26.84 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 161.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.97 -34.22 59.13 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.34 -64.76 0.8 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 120.373 1.442 . . . . 0.0 113.546 166.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -61.91 -34.07 75.38 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 mt -65.99 -41.1 91.55 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 169.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -52.09 -58.62 6.02 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 156.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.22 -37.43 78.03 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.95 -45.31 60.66 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 159.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.83 -47.3 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 CA-C-N 119.797 1.18 . . . . 0.0 113.437 167.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.09 -48.49 78.48 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -49.16 -46.06 44.77 Favored 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 162.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.28 -58.39 8.73 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.74 -27.78 64.21 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -63.37 -41.5 98.82 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 159.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.21 -40.21 85.11 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 167.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.37 -42.2 96.3 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 165.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.53 48.01 1.01 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 116.366 1.307 . . . . 0.0 116.366 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.12 105.96 16.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -74.71 -43.94 52.53 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -95.4 118.37 32.02 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 119.581 1.082 . . . . 0.0 109.62 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.1 mt -130.07 104.59 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.75 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -166.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.27 130.95 37.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.396 -0.815 . . . . 0.0 110.726 172.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.27 110.94 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 120.958 -1.089 . . . . 0.0 109.201 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -109.36 111.77 23.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.644 -0.66 . . . . 0.0 110.614 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.76 111.1 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.15 73.72 6.28 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.289 -0.882 . . . . 0.0 110.699 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.31 -83.28 0.64 Allowed Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.527 -0.733 . . . . 0.0 114.333 -167.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -110.27 -36.77 5.72 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 166.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.57 117.15 11.73 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 119.739 1.154 . . . . 0.0 112.008 -172.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.12 117.17 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.165 -0.959 . . . . 0.0 109.121 -170.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -94.52 111.23 22.99 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.602 0.761 . . . . 0.0 109.538 169.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.49 111.2 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.718 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -100.43 93.4 5.62 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.406 1.082 . . . . 0.0 109.804 -171.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.79 145.89 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 121.262 0.553 . . . . 0.0 111.935 -170.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.11 39.28 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.556 1.17 . . . . 0.0 112.511 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -172.631 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 120.603 0.24 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.6 ttp -135.11 109.17 8.2 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 123.436 0.694 . . . . 0.0 109.671 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.286 7.6 ttpt 89.43 94.3 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 124.963 1.305 . . . . 0.0 113.58 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.44 100.89 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 148.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.1 109.68 21.71 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.386 1.474 . . . . 0.0 108.698 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -128.86 124.85 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.472 -0.767 . . . . 0.0 110.364 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 m -126.02 106.94 9.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -174.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -112.96 93.46 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -166.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -92.62 110.24 21.66 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 123.256 0.622 . . . . 0.0 111.134 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -106.21 103.46 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -171.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -78.88 114.49 17.86 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 119.685 1.129 . . . . 0.0 113.25 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -114.86 86.32 2.42 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 166.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.251 3.0 m-20 55.18 78.47 0.18 Allowed 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -40.27 2.13 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -79.8 101.52 8.54 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.59 99.12 4.19 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.748 0.785 . . . . 0.0 110.476 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.4 mm -81.6 96.41 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -95.81 118.65 32.87 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.909 -164.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.1 95.87 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 170.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.34 108.58 19.97 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 123.779 0.832 . . . . 0.0 109.613 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.2 pp -128.57 145.64 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 CA-C-O 122.423 1.106 . . . . 0.0 110.476 174.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 -137.1 77.85 1.66 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.366 -168.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.7 t -134.57 153.08 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -164.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -83.34 84.78 7.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 119.551 -1.968 . . . . 0.0 110.546 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.3 p -84.67 132.15 34.5 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -159.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.6 -99.35 1.17 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 123.693 0.663 . . . . 0.0 112.157 168.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -91.16 26.56 2.14 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 164.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -86.43 -49.66 7.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.613 -1.304 . . . . 0.0 112.632 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.7 tp -52.39 -39.32 60.71 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 159.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.02 -53.6 56.21 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.16 -43.27 92.1 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -52.63 63.81 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 165.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.62 -42.27 67.56 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.26 -53.18 59.26 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.82 -39.95 87.85 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 -40.24 95.66 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.27 -54.25 45.87 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 121.348 1.886 . . . . 0.0 114.21 166.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -49.52 -58.79 4.54 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 167.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.98 -43.18 95.29 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.46 -51.65 61.99 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.52 94.63 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 174.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -64.8 -37.73 88.59 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 168.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.58 -46.69 36.99 Favored 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.17 71.95 1.23 Allowed Glycine 0 N--CA 1.49 2.242 0 CA-C-N 119.509 1.049 . . . . 0.0 114.881 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.97 47.83 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.251 33.9 ptt-85 -94.87 -46.12 7.0 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -105.81 102.77 12.19 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 119.975 1.262 . . . . 0.0 109.405 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.02 105.85 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -169.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.28 103.58 16.22 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 118.303 0.502 . . . . 0.0 110.311 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.2 mt -98.58 104.11 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.8 m -104.82 116.0 31.27 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.682 0.674 . . . . 0.0 110.922 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -105.07 110.48 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 175.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -105.45 104.18 13.85 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.82 -179.74 4.39 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.42 -49.06 78.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.816 -1.177 . . . . 0.0 113.98 168.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -137.9 163.2 32.07 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 124.113 0.965 . . . . 0.0 109.692 171.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.0 47.49 0.53 Allowed 'General case' 0 CA--C 1.585 2.295 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 168.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -107.2 -50.92 3.0 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 124.403 1.081 . . . . 0.0 110.005 150.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -53.03 -54.23 38.44 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.7 88.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -56.46 -46.59 80.3 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 166.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.32 -42.27 75.58 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.5 -38.38 80.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 168.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -44.36 -54.51 5.76 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 161.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -57.69 -46.82 83.81 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.8 -47.28 74.21 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 168.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mt -60.09 -48.92 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 119.19 0.905 . . . . 0.0 112.752 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.28 66.1 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 169.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -54.03 -47.78 71.2 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.5 -55.87 19.05 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 165.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.16 -38.33 72.18 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -64.43 -39.69 94.31 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 165.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -60.03 -46.66 88.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 166.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.11 -44.99 94.11 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.02 66.32 0.45 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 119.146 0.884 . . . . 0.0 114.84 172.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.81 126.48 46.52 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 117.48 0.64 . . . . 0.0 111.017 -173.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.92 -47.33 7.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -93.69 104.94 17.01 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.503 1.501 . . . . 0.0 108.813 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.78 105.34 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -78.78 92.41 4.82 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 122.28 1.038 . . . . 0.0 110.532 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -82.49 112.5 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 C-N-CA 124.238 1.015 . . . . 0.0 108.736 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -134.08 109.98 9.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.7 -0.625 . . . . 0.0 111.905 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.92 108.18 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.12 0.968 . . . . 0.0 108.68 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -101.01 80.74 2.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.4 -101.87 0.81 Allowed Glycine 0 N--CA 1.494 2.504 0 O-C-N 121.002 -1.061 . . . . 0.0 114.951 -177.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.0 p -88.07 -17.68 30.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 166.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -100.89 97.96 8.5 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.637 1.175 . . . . 0.0 108.456 -161.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.42 101.24 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -168.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.28 117.08 28.74 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 121.678 0.751 . . . . 0.0 111.832 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.9 mm -102.86 99.86 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.633 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -102.76 103.56 13.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.433 0.635 . . . . 0.0 111.683 -170.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.02 140.59 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.534 -0.729 . . . . 0.0 110.802 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -134.88 95.68 3.38 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.499 1.986 0 O-C-N 120.338 -1.476 . . . . 0.0 108.456 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 CA--C 1.562 1.441 0 CA-C-O 122.441 1.115 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ttt -77.11 113.64 15.06 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -83.41 -112.8 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.289 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.54 84.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-N 120.464 1.484 . . . . 0.0 107.779 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.15 114.47 23.02 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 108.535 163.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.273 12.7 tt -97.01 107.98 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.752 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 161.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -108.59 118.74 37.57 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.17 126.21 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.3 108.16 19.42 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 160.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.05 93.05 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.31 88.56 7.51 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 123.275 1.512 . . . . 0.0 111.391 -171.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -87.4 151.41 23.1 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.423 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.63 92.59 0.86 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 112.474 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.08 -35.4 3.53 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -160.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -142.35 122.81 14.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 120.047 1.924 . . . . 0.0 111.44 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -86.22 100.96 12.61 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 109.531 162.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -85.34 97.86 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.94 146.76 45.51 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 -160.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 pt -145.82 135.63 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 123.02 0.528 . . . . 0.0 111.62 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -103.2 115.2 30.12 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.964 0.905 . . . . 0.0 110.111 162.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 pp -127.9 121.89 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.811 -1.181 . . . . 0.0 109.517 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -130.38 117.82 20.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.568 0.699 . . . . 0.0 112.492 -167.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.36 174.01 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 123.103 1.43 . . . . 0.0 111.251 -165.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -152.08 88.85 1.41 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 119.512 -1.993 . . . . 0.0 108.68 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -167.24 -54.6 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -158.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.26 -69.32 0.78 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.3 -0.875 . . . . 0.0 113.332 -165.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.45 -40.09 92.81 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.26 -37.31 86.73 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 122.062 2.21 . . . . 0.0 114.7 169.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.91 -43.48 86.22 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 162.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.93 -47.13 71.56 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.951 1.705 . . . . 0.0 115.495 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -49.18 78.58 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 167.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.49 88.31 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -52.18 -51.25 59.24 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 166.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.93 -39.3 93.85 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.88 -47.58 80.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 166.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -54.1 -47.42 71.79 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 3.3 pt-20 -55.72 -48.24 75.52 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 170.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -62.01 -54.31 43.41 Favored 'General case' 0 CA--C 1.572 1.803 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 171.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 -31.2 72.32 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -53.97 16.58 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 120.389 1.45 . . . . 0.0 113.476 166.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.14 74.74 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -80.49 61.22 4.15 Favored 'General case' 0 CA--C 1.579 2.066 0 CA-C-N 119.723 1.147 . . . . 0.0 112.476 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.199 1.399 . . . . 0.0 112.023 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.39 74.0 1.26 Allowed Glycine 0 N--CA 1.49 2.268 0 CA-C-N 119.447 1.021 . . . . 0.0 115.418 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.14 130.6 38.74 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -78.99 -43.19 24.9 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -117.98 133.1 56.24 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 119.5 1.045 . . . . 0.0 109.106 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.5 t -138.9 109.5 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.193 -1.567 . . . . 0.0 110.315 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -89.15 109.98 20.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.449 -0.782 . . . . 0.0 110.259 169.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -106.12 111.27 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.63 130.98 46.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.2 tt -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 122.557 0.343 . . . . 0.0 111.217 169.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.2 p -83.43 139.02 33.22 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.037 -1.04 . . . . 0.0 113.8 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.81 156.27 24.17 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.42 -38.22 86.95 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 167.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -147.19 174.77 11.29 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.284 1.034 . . . . 0.0 111.115 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.93 -45.8 92.1 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.67 -38.03 88.76 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 169.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.99 -39.35 89.31 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 163.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.55 90.96 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 166.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -52.99 -54.84 29.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 161.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.13 -33.95 76.55 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.89 -39.84 94.16 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 162.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.92 -53.34 54.1 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 161.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -30.98 63.49 Favored 'General case' 0 CA--C 1.578 2.042 0 N-CA-C 116.685 2.105 . . . . 0.0 116.685 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.05 -56.76 9.94 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.006 1.275 . . . . 0.0 114.386 163.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.49 -45.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.787 1.176 . . . . 0.0 113.391 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.88 -45.81 64.26 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 170.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -41.6 99.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 168.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.6 tp -53.89 -50.68 65.81 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 164.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.65 -34.57 77.22 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -62.92 -45.92 90.24 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 161.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.75 -48.23 69.91 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 167.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.12 -44.92 87.13 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.34 75.86 1.03 Allowed Glycine 0 N--CA 1.487 2.092 0 CA-C-N 119.637 1.108 . . . . 0.0 114.225 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -126.8 143.87 51.13 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.78 0.8 . . . . 0.0 112.179 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -74.29 -61.97 1.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -102.31 83.33 2.3 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.437 1.017 . . . . 0.0 109.565 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.2 mt -93.18 95.4 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -96.67 105.13 17.19 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.481 0.658 . . . . 0.0 110.602 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 122.23 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-O 121.675 0.75 . . . . 0.0 112.517 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -138.11 70.89 1.39 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -170.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.7 117.21 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.053 -1.029 . . . . 0.0 110.38 -166.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . 0.25 34.3 t30 -94.94 71.63 3.42 Favored 'General case' 0 CA--C 1.572 1.789 0 C-N-CA 124.488 1.115 . . . . 0.0 110.343 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.24 -104.25 1.16 Allowed Glycine 0 N--CA 1.491 2.367 0 O-C-N 121.478 -0.764 . . . . 0.0 114.875 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.6 p -92.69 -10.57 36.73 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 168.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.94 102.04 11.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.794 1.238 . . . . 0.0 109.872 172.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.66 94.88 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -171.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -92.21 113.53 25.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.3 mt -111.9 118.05 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.87 102.29 9.84 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.456 -160.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.04 131.56 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.434 -0.792 . . . . 0.0 109.924 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.15 132.43 56.08 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 121.554 0.692 . . . . 0.0 109.814 158.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.127 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 77.1 m80 . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -135.79 126.47 27.22 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 120.087 1.312 . . . . 0.0 108.644 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.302 0.2 OUTLIER -125.21 -128.53 0.24 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.07 171.51 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.01 88.6 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 166.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.65 93.19 9.36 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 121.695 0.76 . . . . 0.0 109.507 -166.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.9 91.92 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -169.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.9 m -104.96 103.66 13.26 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.722 0.809 . . . . 0.0 108.934 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mt -103.83 106.01 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -91.63 103.22 15.84 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.874 0.87 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.0 94.71 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -94.73 107.89 19.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.403 -0.81 . . . . 0.0 111.848 -166.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtp-105 -123.75 75.06 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.077 0.551 . . . . 0.0 111.513 -170.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 48.77 62.22 2.69 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.25 -38.68 3.19 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 -166.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -78.6 81.34 4.92 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 119.343 1.571 . . . . 0.0 111.557 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -93.14 103.99 16.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.513 0.673 . . . . 0.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -97.71 106.43 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.81 120.02 40.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.697 0.799 . . . . 0.0 112.795 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.2 110.71 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -174.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -100.62 125.58 47.02 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.87 0.868 . . . . 0.0 112.706 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 pt -133.07 122.69 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 120.945 -1.097 . . . . 0.0 110.492 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -93.83 115.0 27.37 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.774 -1.204 . . . . 0.0 111.15 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.97 146.69 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 O-C-N 121.628 -0.67 . . . . 0.0 110.173 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -158.33 101.81 1.73 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.44 -2.038 . . . . 0.0 110.892 160.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -164.56 -39.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -172.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.7 68.0 1.72 Allowed Glycine 0 N--CA 1.497 2.743 0 CA-C-N 121.275 1.852 . . . . 0.0 115.082 -164.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.299 17.6 ptmt 176.0 -61.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.548 1.139 . . . . 0.0 111.49 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.26 -24.61 29.87 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.65 -50.03 64.0 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.015 1.28 . . . . 0.0 114.185 158.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -60.12 -36.81 78.29 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -65.73 -56.34 12.59 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 161.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.95 -48.3 81.03 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.59 -42.4 71.03 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -67.55 -43.18 81.31 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-N 120.902 1.683 . . . . 0.0 115.317 172.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.37 -31.16 72.12 Favored 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -69.9 -42.57 73.22 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 121.339 1.881 . . . . 0.0 115.353 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -43.79 -58.56 2.66 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 156.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -55.9 -43.19 77.03 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 170.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.73 -35.58 70.88 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 tp -59.75 -42.85 94.15 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.79 88.77 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 164.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -57.23 -46.49 82.92 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 164.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.22 -47.39 16.04 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.14 88.65 0.23 Allowed Glycine 0 N--CA 1.486 2.0 0 CA-C-N 119.457 1.026 . . . . 0.0 113.534 -168.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.25 124.48 24.57 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.717 0.759 . . . . 0.0 112.682 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -73.3 -45.23 56.65 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -95.89 116.24 28.63 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 119.897 1.226 . . . . 0.0 110.006 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.74 102.23 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.21 101.41 13.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.111 0.965 . . . . 0.0 110.151 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.07 107.4 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -101.23 122.74 44.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mm -112.52 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 165.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -85.42 102.35 13.38 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 119.117 0.871 . . . . 0.0 110.459 171.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.39 169.13 11.33 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -171.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.96 -47.51 68.44 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -130.14 153.43 48.53 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 122.282 1.039 . . . . 0.0 110.774 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -54.4 -34.17 60.77 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 161.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -57.04 -43.8 82.3 Favored 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 165.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.95 -40.33 88.64 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 167.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.15 57.09 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.01 -60.1 4.37 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 173.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.98 -35.77 81.3 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -56.99 -47.94 79.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 165.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.8 tp -52.14 -55.91 17.88 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 167.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.56 -43.19 94.69 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.86 -48.38 81.94 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.5 mt -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 CA-C-N 120.353 1.433 . . . . 0.0 112.836 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.13 82.64 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -49.81 -53.14 27.16 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 161.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -54.5 -53.04 59.61 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.421 ' HG ' HG21 ' A' ' 90' ' ' VAL . 4.2 mm? -74.85 -33.38 62.13 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -57.75 -40.52 79.89 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -57.88 -46.59 84.65 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 167.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.99 -48.75 67.5 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.38 57.16 0.04 OUTLIER Glycine 0 N--CA 1.487 2.042 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -127.39 99.77 5.77 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.74 -35.91 65.1 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -90.93 80.44 5.77 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.395 0.998 . . . . 0.0 109.962 -166.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.8 mt -99.82 100.21 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -167.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -113.6 109.64 18.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.507 -0.746 . . . . 0.0 110.602 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -104.17 136.47 37.3 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.23 115.44 30.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 151.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.3 t -85.22 95.18 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 164.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.34 86.42 2.42 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.609 0.719 . . . . 0.0 110.566 -166.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.5 -103.75 1.77 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.548 -0.72 . . . . 0.0 113.244 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.6 p -108.94 7.42 25.95 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 162.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.57 128.11 35.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 120.397 1.453 . . . . 0.0 111.915 166.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.05 89.43 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 151.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 92.06 7.19 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.334 0.653 . . . . 0.0 109.371 176.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -101.39 115.68 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -91.34 115.43 28.02 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.873 -0.517 . . . . 0.0 109.635 162.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' HG ' ' A' ' 69' ' ' LEU . 31.5 m -103.57 138.17 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-O 121.212 0.53 . . . . 0.0 111.33 174.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -128.95 159.64 35.22 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 122.354 1.073 . . . . 0.0 112.112 170.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.0 -1.063 . . . . 0.0 108.255 -175.506 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.3 ttt -106.47 110.66 22.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.597 0.759 . . . . 0.0 110.052 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -132.41 -92.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.776 -0.578 . . . . 0.0 109.744 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.52 86.48 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -93.69 98.35 11.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -161.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mm -85.03 106.0 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 C-N-CA 123.338 0.655 . . . . 0.0 109.532 -171.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.1 m -105.15 100.1 9.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mm -86.55 104.81 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -101.19 103.35 14.38 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.536 1.062 . . . . 0.0 110.619 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.91 106.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -98.3 120.42 38.68 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.742 0.782 . . . . 0.0 110.776 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -135.09 131.0 36.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.684 0.794 . . . . 0.0 109.368 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.29 45.65 28.07 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 161.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.39 28.79 73.69 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 119.863 2.705 . . . . 0.0 119.863 -166.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -141.11 97.01 3.09 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 119.285 1.543 . . . . 0.0 109.407 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.15 101.98 14.7 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.91 0.884 . . . . 0.0 111.393 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -91.82 105.75 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.02 115.48 30.51 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.878 0.847 . . . . 0.0 112.622 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -113.18 114.04 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -75.69 116.61 16.58 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 163.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.269 9.8 tp -133.56 61.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.388 1.09 . . . . 0.0 110.04 174.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -71.82 141.41 49.64 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 -170.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.2 t -118.56 123.65 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.651 0.738 . . . . 0.0 109.639 -163.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -137.86 86.51 2.18 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 161.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.299 3.0 t -161.28 -71.09 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 119.016 -0.516 . . . . 0.0 110.888 -168.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.43 125.36 5.62 Favored Glycine 0 N--CA 1.491 2.337 0 CA-C-N 119.523 1.056 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.31 96.7 mttt 72.06 -41.07 0.49 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -169.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -77.32 70.72 3.74 Favored 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 124.092 1.901 . . . . 0.0 110.832 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.3 tp -168.13 -56.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.02 -1.9 . . . . 0.0 107.762 -159.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.72 -46.43 77.75 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 165.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -53.2 -50.96 63.59 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 166.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.52 81.21 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -49.18 -45.0 43.45 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.94 -47.0 76.13 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 172.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.78 -42.61 97.89 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 167.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.276 0.7 OUTLIER -59.5 -45.35 91.97 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.404 1.911 . . . . 0.0 115.589 169.692 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -50.05 -55.07 16.27 Favored 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 161.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.78 95.46 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -50.81 -53.21 33.91 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 166.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.43 64.47 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.92 -29.29 69.13 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.3 68.18 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.9 61.25 1.61 Allowed Glycine 0 N--CA 1.489 2.224 0 CA-C-N 119.636 1.107 . . . . 0.0 115.234 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.1 156.06 36.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -55.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 168.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -119.9 112.72 19.56 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.662 0.785 . . . . 0.0 108.958 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.92 116.55 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.271 15.8 pt20 -115.37 100.52 8.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.681 0.753 . . . . 0.0 111.547 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.17 113.29 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.8 m -99.09 107.5 19.91 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -104.05 112.08 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -97.56 108.29 20.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 110.917 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.75 166.7 10.74 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -171.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.48 -50.36 59.33 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -126.23 160.97 28.83 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.446 1.117 . . . . 0.0 111.99 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -56.41 -40.25 74.39 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.98 2.215 . . . . 0.0 116.98 168.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.48 -45.72 62.88 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 163.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -61.18 -53.75 53.02 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 168.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.29 -42.13 40.22 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.612 2.449 . . . . 0.0 117.612 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -56.8 -55.81 29.62 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 170.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.37 -36.11 78.72 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.0 -42.68 94.28 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 172.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.5 tp -42.92 -57.07 2.99 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 157.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.01 -46.73 83.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -54.9 -47.67 74.03 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 168.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.84 -47.89 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 120.146 1.339 . . . . 0.0 112.986 172.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.53 -50.74 62.25 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 168.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -55.06 -46.65 75.39 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 168.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.04 -57.29 9.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.71 -40.55 72.76 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.43 -45.61 80.66 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 163.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -57.15 -44.06 83.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.65 -53.02 60.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.38 68.86 0.05 OUTLIER Glycine 0 N--CA 1.487 2.057 0 CA-C-N 118.937 0.79 . . . . 0.0 113.85 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.69 135.53 38.27 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.012 0.525 . . . . 0.0 111.032 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -109.03 -49.14 3.17 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -172.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.17 82.81 7.91 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 120.068 1.304 . . . . 0.0 110.175 -170.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.26 98.74 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -166.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.73 102.31 11.89 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.035 0.922 . . . . 0.0 109.798 -173.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.48 129.94 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.431 0.692 . . . . 0.0 110.029 -172.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -132.12 129.84 40.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.502 -0.749 . . . . 0.0 110.1 162.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.8 107.34 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -94.66 85.71 4.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.506 -0.746 . . . . 0.0 109.959 172.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.66 -97.48 0.71 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 121.67 -0.644 . . . . 0.0 113.977 -173.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 p -107.97 2.15 23.05 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.4 96.46 8.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.477 1.49 . . . . 0.0 110.272 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.9 t -99.12 101.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -95.17 116.83 29.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.616 0.644 . . . . 0.0 112.365 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 mm -105.87 96.51 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -91.74 118.14 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.22 0.608 . . . . 0.0 111.633 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.31 127.94 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 122.84 0.456 . . . . 0.0 111.893 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -103.51 145.76 29.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.902 0.858 . . . . 0.0 111.575 169.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 123.345 1.545 . . . . 0.0 112.896 -176.934 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.171 0.51 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.3 mtp -85.75 68.82 10.5 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.794 -1.191 . . . . 0.0 113.066 -177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -157.92 118.51 3.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -83.35 112.19 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.567 0.747 . . . . 0.0 109.075 -170.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -75.69 119.73 20.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 168.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.97 85.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 166.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.0 m -84.88 115.57 22.84 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.956 -1.09 . . . . 0.0 109.975 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.52 112.22 32.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -108.27 111.31 23.2 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.564 -0.71 . . . . 0.0 110.004 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mt -89.49 104.17 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -95.77 89.77 5.41 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.508 0.671 . . . . 0.0 111.085 -171.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.11 74.33 4.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.939 -1.101 . . . . 0.0 111.353 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 52.91 58.31 5.46 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.64 -48.98 1.47 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 116.654 1.422 . . . . 0.0 116.654 -164.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.55 99.65 4.32 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.39 1.595 . . . . 0.0 111.347 -177.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.23 97.99 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.764 0.793 . . . . 0.0 112.456 -163.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 92.03 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.02 -1.05 . . . . 0.0 108.955 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.35 124.32 33.25 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.21 122.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.564 0.697 . . . . 0.0 110.406 174.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.88 92.23 5.73 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 124.179 0.992 . . . . 0.0 112.69 -172.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.7 mt -88.25 94.57 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.357 -1.464 . . . . 0.0 108.596 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -103.63 108.81 20.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.465 -0.772 . . . . 0.0 111.461 -168.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.9 137.21 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.344 -0.848 . . . . 0.0 110.564 -162.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 t -143.26 83.21 1.78 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.893 -1.13 . . . . 0.0 112.226 171.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.265 3.0 t -165.39 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.16 -62.77 0.42 Allowed Glycine 0 N--CA 1.491 2.329 0 CA-C-N 119.333 0.969 . . . . 0.0 114.01 -164.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.96 -129.06 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.796 164.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.286 19.0 tt0 67.5 -60.24 0.39 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -54.76 -47.15 74.23 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 162.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -51.32 -44.53 61.98 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.15 -49.31 74.87 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 168.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.34 92.86 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 116.655 2.095 . . . . 0.0 116.655 170.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.47 -44.59 65.69 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 170.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -59.58 -48.53 81.31 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 169.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.36 -37.94 89.27 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.78 -47.95 82.93 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 120.826 1.648 . . . . 0.0 115.118 169.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -49.65 -54.09 20.55 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 165.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -53.07 -55.44 23.81 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.44 94.81 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.77 -41.21 97.41 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.9 -51.56 57.6 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 166.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.43 -37.94 83.81 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.44 -35.44 70.92 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 167.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.04 68.21 1.14 Allowed Glycine 0 N--CA 1.487 2.079 0 CA-C-N 119.068 0.849 . . . . 0.0 113.886 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.96 93.51 9.5 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -43.25 73.07 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -121.93 129.82 52.84 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.499 1.045 . . . . 0.0 109.015 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.5 120.91 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.262 12.2 pt20 -103.42 112.59 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.557 -0.715 . . . . 0.0 111.687 167.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.26 113.56 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -107.02 109.84 21.83 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 116.87 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 122.672 0.389 . . . . 0.0 111.328 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -88.74 106.44 18.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.723 -0.611 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.64 160.07 14.9 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.2 -41.85 85.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 177.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -144.11 166.5 24.84 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 124.49 1.116 . . . . 0.0 110.866 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.57 -43.18 75.69 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.06 -44.74 96.04 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.2 -48.92 77.56 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 167.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.95 -42.96 63.27 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 164.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.49 93.0 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.74 -46.69 74.64 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 120.08 1.309 . . . . 0.0 114.238 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.28 -35.86 70.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 170.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.6 tp -52.06 -50.57 61.25 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 165.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -54.94 27.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 165.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.18 -45.0 72.0 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.9 mt -68.48 -57.09 10.08 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.996 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.815 169.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.97 67.17 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.97 -44.79 87.28 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.12 -52.05 65.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 164.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 HG21 ' A' ' 90' ' ' VAL . 65.2 mt -59.9 -50.45 73.72 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -62.19 -35.34 78.53 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -64.6 -40.08 94.88 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -49.01 79.22 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.08 57.97 0.33 Allowed Glycine 0 N--CA 1.485 1.936 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -109.25 112.51 24.7 Favored 'General case' 0 CA--C 1.561 1.384 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -63.23 -40.69 98.17 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -105.4 121.84 44.74 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 mt -125.94 94.74 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -108.65 99.82 9.14 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.446 -0.784 . . . . 0.0 110.399 -157.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -102.48 129.6 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 123.369 0.667 . . . . 0.0 111.148 -161.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -140.21 124.94 18.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.402 -0.811 . . . . 0.0 110.674 163.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.49 123.67 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 O-C-N 121.44 -0.787 . . . . 0.0 111.938 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -96.79 86.97 4.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.286 -0.884 . . . . 0.0 109.698 169.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.47 -93.75 0.72 Allowed Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.612 -0.68 . . . . 0.0 113.74 -172.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -110.07 -2.75 16.82 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 164.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -82.59 101.95 11.11 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.499 1.5 . . . . 0.0 110.894 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.7 t -85.99 100.49 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -94.69 101.24 13.08 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.643 0.777 . . . . 0.0 109.467 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.7 mt -102.9 108.91 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -94.75 114.58 26.51 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.227 0.537 . . . . 0.0 110.533 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG21 HD22 ' A' ' 69' ' ' LEU . 4.0 m -96.42 143.0 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 172.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.03 127.99 41.06 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 124.4 2.048 . . . . 0.0 111.251 -176.505 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 41.9 m80 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.23 141.63 30.86 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 118.857 0.753 . . . . 0.0 111.838 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -76.8 89.33 3.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.566 -0.709 . . . . 0.0 111.461 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -136.52 78.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 161.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.68 134.67 37.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.634 -0.666 . . . . 0.0 110.611 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 pp -107.0 111.03 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 157.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 m -108.88 103.07 12.05 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -112.33 106.42 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -110.87 118.04 35.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.345 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mt -97.34 109.4 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -82.47 82.53 7.87 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.659 0.742 . . . . 0.0 109.478 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -97.0 97.36 9.18 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.37 -0.831 . . . . 0.0 111.168 -162.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.366 7.8 m-20 77.56 -77.82 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 122.141 0.972 . . . . 0.0 112.196 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.87 57.48 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 CA-C-N 114.625 -1.17 . . . . 0.0 113.322 150.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -144.98 103.82 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 117.481 0.641 . . . . 0.0 109.803 -174.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.53 101.4 8.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.84 98.23 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.51 124.98 31.28 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.807 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.6 mm -117.63 95.81 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 167.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.55 96.79 6.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.301 1.04 . . . . 0.0 111.403 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.37 144.39 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.919 -1.113 . . . . 0.0 111.444 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -106.15 144.33 33.01 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.03 89.56 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.675 -0.641 . . . . 0.0 109.492 -161.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.7 p -103.85 84.16 2.22 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.522 -1.361 . . . . 0.0 114.446 -162.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -179.41 -54.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 123.71 0.804 . . . . 0.0 112.813 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.8 -59.63 0.45 Allowed Glycine 0 N--CA 1.49 2.259 0 CA-C-N 119.059 0.845 . . . . 0.0 113.526 -155.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -63.8 -44.2 94.01 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -53.78 -47.22 70.95 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 162.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.82 -47.42 85.18 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 173.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -51.19 -53.47 34.61 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 166.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.78 -47.33 86.14 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.3 47.0 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 170.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.06 -40.15 84.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.55 -53.31 48.01 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 165.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.255 15.3 tp10 -66.15 -32.19 73.48 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.6 -50.45 70.09 Favored 'General case' 0 N--CA 1.504 2.257 0 CA-C-N 123.489 2.859 . . . . 0.0 114.736 165.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -47.95 -52.83 18.09 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.77 -53.48 57.5 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 169.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.48 73.95 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -55.53 -45.46 77.19 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 170.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.65 -47.71 62.38 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 166.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -56.94 -51.41 69.27 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 -19.49 52.85 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.53 65.0 2.06 Favored Glycine 0 N--CA 1.489 2.205 0 CA-C-N 120.107 1.321 . . . . 0.0 114.515 -172.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 90.8 8.53 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.44 1.114 . . . . 0.0 113.19 -168.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -63.98 -44.33 93.03 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -136.35 103.19 5.2 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -171.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.26 114.88 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.116 -0.99 . . . . 0.0 108.965 -166.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 117.07 27.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.48 -0.762 . . . . 0.0 110.185 162.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.55 100.71 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -99.27 107.17 19.41 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 tt -103.44 116.83 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 t -101.14 106.35 17.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.969 -0.457 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.93 169.61 9.52 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -77.39 -44.18 30.13 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -107.69 154.04 22.05 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.084 0.856 . . . . 0.0 112.226 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.02 -45.46 94.71 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 165.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -54.97 -39.15 68.66 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 167.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.79 -53.72 55.2 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 166.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.5 79.79 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 171.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -51.16 -51.63 51.83 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 164.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.04 -44.43 92.53 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 170.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.53 -33.92 71.98 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 tp -54.91 -53.56 53.97 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 166.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -48.66 -57.42 6.29 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 163.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -57.75 -46.49 84.44 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.25 -56.21 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.007 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.131 170.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.05 66.06 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -58.64 -40.41 83.34 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 166.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -50.3 74.07 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 164.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.407 HD13 ' CG1' ' A' ' 90' ' ' VAL . 45.5 mt -58.46 -43.54 88.92 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -51.6 -46.66 63.63 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 161.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -18.36 63.55 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 171.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.6 -59.44 2.72 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.403 1.91 . . . . 0.0 112.844 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.95 79.03 0.45 Allowed Glycine 0 N--CA 1.484 1.89 0 CA-C-N 118.709 0.686 . . . . 0.0 113.165 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -132.9 127.56 34.64 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.269 0.628 . . . . 0.0 109.894 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.92 -46.01 54.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.98 127.24 39.65 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.4 mm -125.03 88.33 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -99.59 94.23 6.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 111.166 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -83.27 129.66 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 121.307 -0.871 . . . . 0.0 112.286 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 111.34 13.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 166.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 t -94.47 128.5 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.565 -0.709 . . . . 0.0 109.835 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -110.67 71.13 0.74 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.404 -0.81 . . . . 0.0 110.742 169.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.63 -98.58 0.35 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 121.546 -0.722 . . . . 0.0 114.844 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -91.93 -8.44 46.29 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.92 111.65 22.78 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 119.656 1.117 . . . . 0.0 109.852 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 t -103.95 102.5 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -90.85 102.1 14.86 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.62 0.645 . . . . 0.0 111.604 169.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.8 mt -94.88 105.07 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -87.89 106.27 17.99 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.481 1.112 . . . . 0.0 110.243 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 69' ' ' LEU . 35.4 m -104.0 128.95 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.142 0.496 . . . . 0.0 111.213 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -128.96 133.57 47.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.364 0.602 . . . . 0.0 110.837 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.263 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.292 60.3 mtt 70.52 -59.83 0.51 Allowed 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 72.48 128.47 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 125.893 1.677 . . . . 0.0 113.322 -167.484 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.3 108.73 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -122.99 110.85 15.89 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -172.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.16 91.07 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-N 120.074 1.307 . . . . 0.0 109.209 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -87.73 105.29 17.28 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 122.049 0.928 . . . . 0.0 108.565 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.93 107.83 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -98.94 97.33 8.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.321 0.581 . . . . 0.0 110.591 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -81.55 98.06 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -91.74 93.48 8.9 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.772 1.273 . . . . 0.0 108.355 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 123.13 49.59 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.103 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 37.54 69.54 0.23 Allowed 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 168.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.89 30.51 73.29 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 119.988 2.755 . . . . 0.0 119.988 -171.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -148.37 106.12 3.69 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 119.584 1.692 . . . . 0.0 110.83 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -82.74 103.34 12.17 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.928 0.891 . . . . 0.0 111.294 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.3 mt -104.96 100.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -98.84 121.28 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.93 97.5 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.76 107.96 19.62 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.014 0.926 . . . . 0.0 111.408 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.276 2.5 pp -127.27 130.88 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 120.895 -1.128 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -114.55 117.47 31.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.566 0.746 . . . . 0.0 110.105 -164.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.01 93.14 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.926 0.87 . . . . 0.0 109.654 -155.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -87.36 65.94 8.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.768 -1.208 . . . . 0.0 113.766 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -168.78 156.44 7.67 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.929 0.871 . . . . 0.0 112.322 -155.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.67 156.33 15.72 Favored Glycine 0 N--CA 1.492 2.375 0 CA-C-O 121.693 0.607 . . . . 0.0 114.171 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.363 60.5 mttp 72.27 -48.42 0.68 Allowed 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.78 -49.72 74.46 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 162.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 tp -54.8 -50.63 68.06 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -48.34 -54.83 12.43 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 166.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -61.68 -46.65 88.8 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.95 79.64 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.63 -40.18 78.61 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.64 -42.11 95.69 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.85 -36.85 81.05 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 121.128 1.786 . . . . 0.0 115.583 166.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -66.35 -40.25 89.69 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -44.24 -55.54 4.79 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 155.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -58.9 -52.48 65.58 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.03 72.59 Favored 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 167.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tt -54.24 -54.64 37.25 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.81 74.23 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 171.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -59.38 -33.12 70.8 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.14 75.29 Favored 'General case' 0 CA--C 1.566 1.595 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 168.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.87 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 119.952 1.251 . . . . 0.0 115.166 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.98 142.24 43.37 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -164.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -86.41 -44.83 11.71 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.13 100.48 6.57 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 119.628 1.104 . . . . 0.0 108.809 -174.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 t -108.92 115.24 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.25 -1.531 . . . . 0.0 108.56 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -107.21 98.37 8.01 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.585 0.754 . . . . 0.0 110.817 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.5 109.16 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -113.39 109.82 19.32 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -98.12 112.67 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.612 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -83.67 97.13 8.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.959 -0.463 . . . . 0.0 110.778 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.16 155.92 17.69 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.397 1.094 . . . . 0.0 113.864 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.05 -43.97 32.51 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -123.04 157.75 32.07 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 122.311 1.053 . . . . 0.0 111.67 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -51.72 -51.11 58.57 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 161.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -56.17 -33.43 65.25 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.3 -56.87 11.57 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 120.137 1.335 . . . . 0.0 113.632 161.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.76 51.06 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -50.56 73.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 171.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.25 8.5 pt-20 -72.94 -32.57 65.36 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 172.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.28 -39.66 95.2 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 165.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -48.28 -54.9 12.03 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 159.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -45.4 93.33 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 173.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 tp -54.04 -49.24 69.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.55 -48.37 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 CA-C-N 119.456 1.025 . . . . 0.0 111.952 171.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.42 -46.39 66.32 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 171.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -50.32 -51.48 44.99 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.89 -49.8 72.39 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 90' ' ' VAL . 73.3 mt -64.45 -41.25 96.65 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 174.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -59.44 -45.13 92.45 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 166.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -56.68 -48.11 78.38 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 164.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.36 -47.0 87.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 174.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.72 72.8 0.82 Allowed Glycine 0 N--CA 1.488 2.135 0 CA-C-N 119.294 0.952 . . . . 0.0 114.426 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -132.74 130.92 40.62 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.095 0.558 . . . . 0.0 110.613 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -81.32 -48.71 11.62 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -93.75 83.77 4.49 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.603 1.092 . . . . 0.0 109.709 -164.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.8 mt -97.21 95.28 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -168.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -88.38 96.27 10.53 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 124.466 1.107 . . . . 0.0 111.159 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.3 122.23 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 110.372 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -124.59 117.86 25.26 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 121.478 -0.764 . . . . 0.0 109.342 161.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.43 97.68 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 165.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -91.88 73.84 5.68 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 123.896 0.878 . . . . 0.0 110.471 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.14 -103.81 1.64 Allowed Glycine 0 N--CA 1.491 2.306 0 O-C-N 121.525 -0.735 . . . . 0.0 113.836 -167.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.2 p -102.13 -15.43 16.7 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 167.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -67.64 113.04 5.12 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-N 119.973 1.26 . . . . 0.0 111.629 169.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.0 t -100.76 98.82 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -96.75 100.73 12.26 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.285 1.034 . . . . 0.0 108.763 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.7 mt -112.3 105.36 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -100.92 118.49 37.06 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.363 0.665 . . . . 0.0 110.555 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 69' ' ' LEU . 31.2 m -101.34 131.52 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.209 1.004 . . . . 0.0 111.988 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -122.78 153.7 39.17 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 122.651 1.215 . . . . 0.0 110.506 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -172.621 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.0 tptt . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -141.92 89.33 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.64 112.0 23.59 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.75 90.27 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m -104.93 116.87 32.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.897 -0.502 . . . . 0.0 110.442 -170.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.81 106.16 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -94.13 109.51 21.28 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 119.308 0.958 . . . . 0.0 109.469 164.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -89.33 110.92 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -86.84 107.69 18.42 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.822 0.82 . . . . 0.0 108.797 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -103.62 -175.25 2.75 Favored 'General case' 0 CA--C 1.571 1.775 0 CA-C-O 122.852 1.311 . . . . 0.0 111.773 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.06 91.2 0.07 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.69 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.78 79.36 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 120.166 2.826 . . . . 0.0 120.166 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -160.02 131.47 5.97 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.912 1.856 . . . . 0.0 109.544 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.27 136.24 33.24 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.418 0.628 . . . . 0.0 112.158 160.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.39 105.96 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -105.78 125.9 51.53 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.289 0.566 . . . . 0.0 111.551 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 pt -132.94 126.07 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.21 0.604 . . . . 0.0 109.537 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -110.93 129.68 55.81 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.441 0.696 . . . . 0.0 111.395 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.1 mm -116.61 82.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -96.8 121.25 38.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.787 -1.195 . . . . 0.0 113.354 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.93 138.58 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.613 -0.679 . . . . 0.0 111.699 -158.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -121.41 105.93 10.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.969 -1.082 . . . . 0.0 109.474 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -160.37 -66.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.1 130.82 5.55 Favored Glycine 0 N--CA 1.484 1.864 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -155.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.355 64.7 mmtt 77.52 -34.98 0.2 Allowed 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 168.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' HE ' ' A' ' 29' ' ' ARG . 4.9 mm-40 -61.95 -30.73 71.11 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 161.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.47 -54.32 42.5 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 119.902 1.228 . . . . 0.0 113.747 163.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.44 -49.36 74.79 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HE ' ' CD ' ' A' ' 26' ' ' GLU . 25.9 mtp85 -58.38 -49.05 78.62 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 172.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.81 87.28 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 166.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.8 -42.14 64.81 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -59.55 -49.71 76.7 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 169.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.2 -36.05 80.92 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.83 -44.26 94.15 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 168.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -58.72 4.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -50.36 -48.39 55.66 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 166.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.96 82.52 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.78 -45.52 74.28 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -47.72 77.49 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -60.84 -47.08 87.98 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.75 65.9 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.03 63.25 2.58 Favored Glycine 0 N--CA 1.488 2.164 0 CA-C-N 119.53 1.059 . . . . 0.0 114.597 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 94.77 9.98 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.682 0.753 . . . . 0.0 112.326 -169.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -72.72 -36.55 67.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -125.14 112.27 16.27 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 119.635 1.107 . . . . 0.0 108.242 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.62 124.77 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.144 -0.973 . . . . 0.0 109.557 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -99.33 104.08 15.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 165.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.25 113.77 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 m -108.81 112.62 24.98 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.76 105.7 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -75.07 84.87 2.31 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 124.786 1.234 . . . . 0.0 111.737 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.15 154.84 17.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -166.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.56 -37.0 57.3 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -146.73 171.34 15.31 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.544 1.164 . . . . 0.0 112.12 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.75 -44.43 85.91 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.2 -42.79 99.37 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.04 -53.72 49.13 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 163.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.28 55.15 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -56.84 -61.64 2.3 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 120.574 1.534 . . . . 0.0 113.92 169.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -70.24 -28.72 65.48 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.1 -45.45 91.99 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.349 1.886 . . . . 0.0 114.029 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.14 -55.7 6.67 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 163.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.1 -34.2 68.44 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.6 -44.55 69.51 Favored 'General case' 0 N--CA 1.505 2.306 0 CA-C-N 123.069 2.668 . . . . 0.0 116.069 162.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.31 -47.82 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.031 0 CA-C-N 119.524 1.057 . . . . 0.0 112.452 170.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.22 71.89 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -50.51 -47.38 57.38 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 166.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.12 -59.54 4.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.41 -31.3 62.27 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -63.6 -35.2 79.73 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -47.22 85.28 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 120.971 1.714 . . . . 0.0 114.729 165.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.2 -43.06 87.83 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.71 68.2 0.57 Allowed Glycine 0 N--CA 1.487 2.08 0 CA-C-N 119.457 1.026 . . . . 0.0 114.573 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.88 123.78 50.03 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.068 0.547 . . . . 0.0 110.484 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.62 -44.65 56.5 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.67 80.72 1.94 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.192 0.905 . . . . 0.0 110.083 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.2 mt -96.78 95.92 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -166.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 102.86 12.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.504 -0.747 . . . . 0.0 110.792 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -88.85 134.37 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -133.03 123.8 26.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 109.184 155.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.47 115.7 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -88.96 83.58 6.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.12 -89.96 0.5 Allowed Glycine 0 N--CA 1.492 2.396 0 O-C-N 121.917 -0.489 . . . . 0.0 113.926 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.2 p -104.68 -10.08 17.74 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 166.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.21 105.79 18.05 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.501 1.5 . . . . 0.0 109.985 -165.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -93.38 100.98 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -165.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -91.49 120.19 32.1 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.272 0.942 . . . . 0.0 111.524 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.9 mt -115.79 111.0 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -95.13 111.32 23.16 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.59 123.12 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 123.103 0.561 . . . . 0.0 111.739 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -120.57 121.82 39.21 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.023 0.439 . . . . 0.0 110.388 -172.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 122.775 1.274 . . . . 0.0 108.59 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.7 mttm . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.36 91.63 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.75 119.23 33.02 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.897 -0.502 . . . . 0.0 110.393 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.06 86.08 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -86.49 104.97 16.46 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 122.014 0.912 . . . . 0.0 109.088 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.3 mt -95.21 134.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.004 0.922 . . . . 0.0 109.157 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -126.5 102.42 7.11 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 156.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 pt -98.84 116.45 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.28 -0.887 . . . . 0.0 110.778 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.1 102.72 15.37 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -94.8 83.28 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.433 1.093 . . . . 0.0 111.053 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.9 55.09 10.08 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.95 -48.17 1.16 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -163.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -79.26 100.52 7.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 118.687 1.243 . . . . 0.0 112.948 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.28 107.27 11.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.011 -1.056 . . . . 0.0 111.659 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -103.25 112.53 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -174.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -116.92 138.44 51.54 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -164.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -145.28 121.19 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -95.05 105.4 17.32 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.584 -0.698 . . . . 0.0 111.113 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.65 94.19 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -93.15 97.12 10.46 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 123.244 0.617 . . . . 0.0 111.971 -171.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -144.05 88.94 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 -161.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.0 p -93.99 85.51 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.546 -1.346 . . . . 0.0 111.746 172.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -166.62 155.87 11.03 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.914 0.885 . . . . 0.0 109.814 -164.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.69 -64.19 1.91 Allowed Glycine 0 N--CA 1.495 2.569 0 O-C-N 120.77 -1.206 . . . . 0.0 114.397 165.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.89 140.26 51.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 122.389 -0.477 . . . . 0.0 111.791 168.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.4 46.0 mt-10 89.83 -51.4 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.498 1.119 . . . . 0.0 113.891 -165.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -55.28 -53.52 55.06 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 120.388 1.449 . . . . 0.0 114.866 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.06 -41.71 92.96 Favored 'General case' 0 CA--C 1.575 1.923 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 171.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.85 -46.13 90.79 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 169.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -52.53 65.19 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 166.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -49.21 -49.17 44.13 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.5 -21.0 61.27 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -87.98 -32.34 18.9 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 122.334 2.334 . . . . 0.0 115.257 163.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.24 -42.3 99.2 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.367 -1.458 . . . . 0.0 114.873 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -50.37 -42.07 52.8 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 160.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -66.99 -50.58 61.79 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.362 1.465 . . . . 0.0 113.77 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.08 63.93 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 165.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.37 -55.15 14.95 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-N 120.05 1.295 . . . . 0.0 114.41 166.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.32 62.1 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -80.45 63.66 4.98 Favored 'General case' 0 CA--C 1.579 2.07 0 CA-C-O 122.301 1.048 . . . . 0.0 112.211 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.45 -61.27 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 125.264 1.425 . . . . 0.0 111.049 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.74 78.74 0.98 Allowed Glycine 0 N--CA 1.487 2.089 0 CA-C-N 119.527 1.058 . . . . 0.0 114.314 -172.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.81 150.84 21.41 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-O 121.759 0.79 . . . . 0.0 112.919 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -80.15 -69.71 0.57 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.72 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -107.15 112.09 24.83 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.729 1.149 . . . . 0.0 109.528 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.87 97.68 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -108.35 103.51 12.68 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.402 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -110.43 116.11 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -94.94 111.83 23.59 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.271 11.9 mt -100.97 103.48 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 p -90.97 104.94 17.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.783 -0.573 . . . . 0.0 111.973 -177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.36 169.26 9.68 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.47 -33.24 54.69 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.84 158.13 44.59 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 119.759 1.163 . . . . 0.0 111.312 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.59 -47.56 85.08 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.77 -41.09 90.33 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 166.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.52 -41.94 95.44 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.81 82.04 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 163.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -55.54 -49.58 72.27 Favored 'General case' 0 CA--C 1.577 2.007 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 166.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.72 -43.4 85.25 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 171.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.38 -46.29 80.69 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.9 tp -45.22 -54.53 6.86 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 121.114 1.779 . . . . 0.0 115.774 164.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.7 -48.55 77.45 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 168.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -48.7 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.626 1.103 . . . . 0.0 112.421 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.28 -43.64 64.55 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -56.67 -42.43 78.99 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 116.015 1.858 . . . . 0.0 116.015 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.02 -48.63 80.9 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 166.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.1 mt -50.55 -47.69 57.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -57.98 -44.85 87.35 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -62.28 -43.56 98.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 168.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.55 -45.31 93.55 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.52 38.05 3.82 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.82 165.14 25.65 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.721 1.26 . . . . 0.0 113.967 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -111.01 -59.7 1.93 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.361 -0.837 . . . . 0.0 111.823 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.11 106.19 18.32 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.6 107.65 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -117.2 124.78 49.95 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 123.728 0.811 . . . . 0.0 111.568 -175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -106.74 128.22 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.271 -0.893 . . . . 0.0 109.412 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -129.84 104.65 7.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.048 -1.033 . . . . 0.0 109.679 165.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -95.63 105.78 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -92.02 83.95 5.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.479 -0.763 . . . . 0.0 110.076 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.73 -95.55 0.71 Allowed Glycine 0 N--CA 1.49 2.245 0 O-C-N 121.812 -0.555 . . . . 0.0 113.675 -172.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.5 p -110.74 1.38 17.81 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 166.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.0 97.96 7.0 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.595 1.543 . . . . 0.0 110.494 173.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.4 t -87.49 91.18 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -83.32 110.14 17.86 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.447 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.87 104.6 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.557 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -106.97 104.02 13.59 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.42 1.088 . . . . 0.0 109.642 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.1 m -123.46 137.09 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -134.38 161.93 33.62 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 123.15 1.452 . . . . 0.0 112.918 170.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.92 1.343 . . . . 0.0 109.025 -163.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.8 tttt . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.45 111.91 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.147 -0.971 . . . . 0.0 111.567 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.22 118.61 18.33 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 123.258 0.623 . . . . 0.0 110.921 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.275 38.0 pt -105.11 94.63 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -103.55 105.34 15.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.64 109.3 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -170.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -97.48 110.6 23.13 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.759 0.79 . . . . 0.0 111.203 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.8 mt -88.93 102.01 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.1 103.83 16.29 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.552 0.692 . . . . 0.0 110.24 -172.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -117.56 157.5 26.23 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.505 0.722 . . . . 0.0 110.89 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -61.91 116.83 5.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.919 -1.113 . . . . 0.0 112.802 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.37 -32.95 6.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 118.411 2.124 . . . . 0.0 118.411 -168.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -136.56 115.21 12.01 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.1 1.95 . . . . 0.0 110.233 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -86.72 111.29 20.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.527 -0.733 . . . . 0.0 109.035 160.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.7 mt -102.91 82.39 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -78.7 112.55 15.93 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.306 1.05 . . . . 0.0 112.514 168.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 pt -108.47 118.35 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.294 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -116.81 98.55 6.57 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 122.245 1.022 . . . . 0.0 113.162 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.48 134.28 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 C-N-CA 124.219 1.008 . . . . 0.0 108.831 -170.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -109.09 99.74 9.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 119.585 -1.947 . . . . 0.0 110.622 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.08 150.99 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 122.818 1.295 . . . . 0.0 114.442 -162.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -87.22 102.92 14.94 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.369 1.068 . . . . 0.0 109.963 167.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.24 87.21 3.07 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -160.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.16 -82.7 0.04 OUTLIER Glycine 0 N--CA 1.487 2.084 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 158.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.04 -30.91 67.22 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 167.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -67.27 -48.5 67.53 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.996 1.725 . . . . 0.0 113.853 168.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -47.33 -55.17 9.31 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -54.92 -49.11 72.09 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -67.85 -43.85 78.53 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.51 73.22 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 166.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 tp -50.93 -47.0 61.11 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.3 -47.01 87.85 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 168.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.15 -37.29 69.43 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.69 -43.04 89.88 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 164.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -51.31 -51.96 49.55 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -54.93 -53.18 58.84 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.23 93.62 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.866 2.172 . . . . 0.0 116.866 172.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.0 -49.31 68.22 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.24 86.54 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -81.79 47.13 1.05 Allowed 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 119.29 0.95 . . . . 0.0 113.487 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.95 -63.9 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.834 1.254 . . . . 0.0 111.599 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.48 67.6 1.79 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.48 143.26 26.92 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -59.64 -47.06 87.08 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -123.44 136.23 54.5 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 119.232 0.924 . . . . 0.0 109.698 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.31 126.03 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.81 -1.181 . . . . 0.0 108.623 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -125.57 103.39 7.84 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.065 0.546 . . . . 0.0 111.116 -167.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.65 114.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -105.31 115.1 29.69 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 118.726 0.694 . . . . 0.0 109.45 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mm -109.73 108.95 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 t -81.22 84.13 6.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.463 -0.773 . . . . 0.0 112.017 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.95 155.28 25.31 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -164.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.42 -42.92 67.68 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -136.03 157.75 46.07 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.155 0.982 . . . . 0.0 111.062 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -57.48 -42.68 83.1 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.662 2.467 . . . . 0.0 117.662 172.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.67 -45.42 89.45 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 169.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.05 -43.94 87.14 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 165.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.54 67.24 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 168.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -47.61 85.01 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 121.07 1.759 . . . . 0.0 115.411 165.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.73 -46.11 84.88 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 170.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.4 -49.57 76.33 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.33 -53.29 17.96 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 167.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.51 -48.86 80.02 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.85 -45.36 82.47 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.06 -48.56 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-N 120.189 1.359 . . . . 0.0 112.837 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.48 76.38 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -49.87 -46.35 51.43 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 163.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.79 -54.0 51.34 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 90' ' ' VAL . 4.3 mm? -70.54 -34.27 72.07 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 161.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -43.79 76.25 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 165.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.5 -5.8 26.43 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.42 -1.81 56.01 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 119.78 2.672 . . . . 0.0 119.78 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.444 ' CD2' HG23 ' A' ' 90' ' ' VAL . 42.9 m-85 -81.56 154.04 26.43 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 119.963 1.882 . . . . 0.0 113.366 -172.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.85 -67.27 1.0 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -161.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.6 83.43 7.89 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.751 1.16 . . . . 0.0 110.382 -166.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.0 mt -86.92 98.76 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -166.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -86.43 100.51 12.4 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.737 0.815 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.02 106.43 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -126.01 80.74 1.93 Allowed 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.24 110.71 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 109.743 -171.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -88.14 78.28 8.15 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.58 0.705 . . . . 0.0 111.047 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.44 -96.98 0.84 Allowed Glycine 0 N--CA 1.492 2.414 0 O-C-N 121.504 -0.747 . . . . 0.0 113.841 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.9 p -99.01 -7.49 26.78 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 163.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.04 100.26 6.43 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.919 1.691 . . . . 0.0 112.624 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -84.18 93.04 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -100.91 102.28 13.28 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.31 0.576 . . . . 0.0 110.06 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -106.73 103.96 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -170.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.71 119.59 39.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.533 0.733 . . . . 0.0 110.523 -176.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 74' ' ' TYR . 26.5 m -128.67 139.63 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.881 -0.512 . . . . 0.0 111.928 -164.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -103.59 154.68 19.23 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.171 -0.956 . . . . 0.0 112.897 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 122.483 1.135 . . . . 0.0 110.068 173.638 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.416 55.9 tptt . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.81 99.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -101.73 154.18 19.13 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.814 1.293 . . . . 0.0 111.782 163.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 50' ' ' ILE . 44.1 pt -126.67 88.7 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.456 -171.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 m -92.75 94.08 8.79 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mm -118.37 112.34 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.055 -1.028 . . . . 0.0 108.383 -162.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -106.4 119.06 38.27 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.148 1.34 . . . . 0.0 111.099 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.61 100.17 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -98.47 123.85 42.85 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.774 0.797 . . . . 0.0 111.64 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -122.47 64.35 0.95 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 122.87 0.468 . . . . 0.0 110.876 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.47 83.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.08 -52.3 4.6 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 -168.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.02 94.16 1.85 Allowed 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.753 0.821 . . . . 0.0 112.117 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.283 22.1 pt-20 -110.88 123.38 50.01 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.261 1.029 . . . . 0.0 113.41 176.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.73 122.51 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.29 152.6 47.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -162.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 pt -122.69 148.29 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.566 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -147.75 102.75 3.45 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 pt -158.47 112.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 121.218 -0.926 . . . . 0.0 110.678 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.266 38.8 ptt180 -77.14 129.3 35.81 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.17 91.44 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.773 0.829 . . . . 0.0 110.75 -162.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.1 p -72.65 91.82 1.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.705 -1.247 . . . . 0.0 112.765 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -144.7 147.63 33.24 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.817 -154.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -88.75 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 O-C-N 121.846 -0.533 . . . . 0.0 112.285 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -93.77 52.01 1.63 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.77 -53.43 0.93 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.539 1.136 . . . . 0.0 110.505 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.68 -32.86 31.48 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 155.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -40.96 -50.05 3.27 Favored 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 156.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -43.35 68.16 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.15 96.92 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.76 -36.07 75.89 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 166.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -62.12 -38.21 88.04 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 165.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.52 -38.4 77.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 163.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.1 mt -56.23 -46.24 79.61 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 122.291 2.314 . . . . 0.0 114.77 165.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -47.32 -56.61 6.5 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 164.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.53 -43.61 89.46 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.43 59.53 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 168.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -52.97 -48.19 67.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 165.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.64 -51.89 20.84 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -51.7 -44.8 63.29 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.87 -26.88 21.39 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.38 1.35 Allowed Glycine 0 N--CA 1.489 2.191 0 CA-C-N 119.796 1.18 . . . . 0.0 115.353 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.24 114.2 21.65 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.19 -52.17 17.8 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 172.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -142.81 127.99 18.66 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 119.674 1.124 . . . . 0.0 110.971 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.3 t -130.51 129.62 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -165.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.24 102.1 11.81 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 69' ' ' LEU . 4.2 mp -95.01 107.72 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -116.81 108.07 15.4 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 118.866 0.757 . . . . 0.0 110.268 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 4' ' ' ILE . 10.9 mm -101.7 110.73 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -79.94 93.34 5.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.697 -0.627 . . . . 0.0 111.04 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.56 160.17 14.54 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -168.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.17 -42.41 59.93 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -141.52 160.82 39.35 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.976 0.91 . . . . 0.0 111.119 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.74 -47.5 76.83 Favored 'General case' 0 CA--C 1.577 2.004 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.57 -46.24 84.21 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.79 -49.1 77.75 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 166.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.55 80.67 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -53.33 -53.88 44.58 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -65.15 -42.6 93.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.24 -49.63 73.61 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 165.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 tt -48.81 -58.85 4.16 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.06 -46.74 82.22 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 172.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.39 -47.57 66.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 168.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 mt -61.79 -48.83 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 119.642 1.11 . . . . 0.0 112.896 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.4 71.54 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -55.01 -47.95 73.99 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 164.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.46 -50.49 73.37 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD11 HD13 ' A' ' 48' ' ' ILE . 57.0 mt -69.76 -33.68 72.75 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -59.39 -41.88 90.41 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 158.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.7 -46.98 77.57 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.18 -46.57 80.26 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 50.88 0.24 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -107.99 100.09 9.47 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.39 -32.71 58.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -96.56 107.1 19.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.948 1.249 . . . . 0.0 109.127 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.05 108.28 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -166.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -86.05 102.94 14.27 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 121.061 -1.024 . . . . 0.0 110.161 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.15 105.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 123.818 0.847 . . . . 0.0 109.211 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -131.1 108.44 9.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.231 -0.918 . . . . 0.0 110.1 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.99 113.83 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 120.966 -1.084 . . . . 0.0 109.95 157.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -95.91 84.77 3.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.077 -1.014 . . . . 0.0 109.479 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.49 -95.5 0.88 Allowed Glycine 0 N--CA 1.49 2.285 0 O-C-N 121.756 -0.59 . . . . 0.0 112.712 -167.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.8 p -114.89 0.51 13.77 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 164.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.11 104.78 7.8 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 121.316 1.871 . . . . 0.0 109.947 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.64 90.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.748 -1.22 . . . . 0.0 108.858 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.17 96.99 7.57 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.348 0.659 . . . . 0.0 110.27 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mm -107.44 112.74 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -115.1 110.12 19.06 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.629 0.771 . . . . 0.0 109.934 -171.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.69 150.85 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 133.66 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 172.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 175.635 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.5 102.88 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -110.49 114.85 28.59 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 170.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mp -105.92 106.25 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 119.289 0.95 . . . . 0.0 108.922 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -97.82 113.74 25.61 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.349 1.06 . . . . 0.0 109.463 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mm -116.91 100.0 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -99.47 95.74 7.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.764 -0.585 . . . . 0.0 111.185 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.74 99.07 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -103.76 87.54 2.84 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.896 0.878 . . . . 0.0 109.111 -170.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -88.22 75.63 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -171.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.6 OUTLIER 57.9 65.02 1.39 Allowed 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.28 34.74 50.4 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 118.731 2.252 . . . . 0.0 118.731 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -154.24 106.74 2.81 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.461 1.63 . . . . 0.0 110.084 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.81 107.33 19.13 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.439 1.096 . . . . 0.0 113.475 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -92.94 96.51 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -102.11 109.15 20.79 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -100.18 89.83 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.76 102.99 12.17 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.763 0.825 . . . . 0.0 109.565 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 pt -131.23 144.64 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 122.109 0.957 . . . . 0.0 112.76 -163.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.69 111.76 22.35 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.077 0.951 . . . . 0.0 109.464 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.68 83.43 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.381 -0.824 . . . . 0.0 110.663 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 t -83.98 72.87 10.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.467 -1.396 . . . . 0.0 114.249 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -166.1 120.82 1.18 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -165.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 33.88 0.98 Allowed Glycine 0 N--CA 1.497 2.734 0 N-CA-C 121.394 3.318 . . . . 0.0 121.394 -169.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -142.0 -37.59 0.4 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.441 1.097 . . . . 0.0 112.775 164.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.94 -30.51 70.66 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -56.71 -42.44 79.14 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 160.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.09 -49.12 75.71 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -54.52 -47.18 73.42 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 170.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.4 -51.41 69.5 Favored 'General case' 0 CA--C 1.566 1.575 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 164.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tt -49.83 -43.54 48.89 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.33 -31.29 72.41 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -81.72 -40.64 22.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.52 -42.12 67.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.264 1.1 pt-20 -54.69 -41.88 70.75 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 164.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -63.21 -45.07 93.37 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 170.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.11 95.54 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 166.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.5 -53.45 56.23 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 165.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.3 77.49 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.74 72.45 5.26 Favored 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.472 1.487 . . . . 0.0 112.506 173.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 51.76 54.86 10.22 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.7 73.34 2.68 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 116.316 1.287 . . . . 0.0 116.316 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.59 157.06 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 119.744 3.238 . . . . 0.0 119.744 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -81.71 -11.6 58.98 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 158.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -136.23 125.13 24.12 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.67 1.577 . . . . 0.0 108.714 168.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -128.25 115.0 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -94.62 102.57 14.48 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.016 0.526 . . . . 0.0 110.746 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.55 105.22 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -116.74 107.15 14.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.489 -0.757 . . . . 0.0 109.431 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 17.1 tt -110.97 118.41 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 110.533 177.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -84.86 114.76 22.34 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 111.463 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.14 163.52 24.04 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -51.53 11.3 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 163.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -105.4 156.31 18.3 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.535 1.16 . . . . 0.0 112.879 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -55.34 -50.57 69.28 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.417 2.376 . . . . 0.0 117.417 172.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.9 -27.28 65.64 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.3 -37.52 85.87 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.01 1.732 . . . . 0.0 115.162 159.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.1 82.37 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 162.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -58.56 -49.42 77.48 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 163.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -54.63 -44.71 73.4 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 170.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.25 -35.29 79.83 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.56 -54.21 44.21 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.613 1.552 . . . . 0.0 115.022 159.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -53.06 -47.35 68.53 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.38 -53.64 54.05 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.75 -47.36 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-N 119.838 1.199 . . . . 0.0 113.352 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.21 -46.05 65.49 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.52 -46.84 76.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.58 -52.84 63.96 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.29 -41.49 97.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -57.63 -50.08 74.35 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 163.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.41 -43.64 79.54 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.6 -33.45 75.96 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -97.48 109.96 22.61 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.941 1.371 . . . . 0.0 109.807 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -85.05 -43.69 13.69 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -164.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -81.48 118.04 22.4 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 119.798 1.181 . . . . 0.0 109.715 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.1 mt -128.81 104.59 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -171.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -97.86 103.27 15.19 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.226 1.01 . . . . 0.0 110.93 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.0 t -97.63 123.16 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 123.391 0.676 . . . . 0.0 110.971 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -130.84 98.02 4.5 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.09 163.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.35 104.11 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -90.52 60.13 4.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.167 -0.958 . . . . 0.0 112.698 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.22 -76.98 0.59 Allowed Glycine 0 N--CA 1.493 2.468 0 O-C-N 121.008 -1.058 . . . . 0.0 114.948 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 p -95.23 -40.37 9.6 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.43 107.14 13.95 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.497 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -88.83 85.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -91.27 94.73 9.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.507 0.723 . . . . 0.0 109.627 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 69.9 mt -108.99 105.5 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -99.52 120.52 39.78 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.749 0.82 . . . . 0.0 110.437 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.0 m -106.78 134.81 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.629 -0.67 . . . . 0.0 112.607 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.92 150.41 38.54 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 121.733 0.778 . . . . 0.0 112.199 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 173.096 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.0 mttm . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -57.46 96.07 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.702 1.201 . . . . 0.0 114.047 -164.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.22 115.54 30.36 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mm -85.5 103.37 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.1 m -102.4 100.45 10.59 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.75 95.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -87.45 98.74 11.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.679 -0.638 . . . . 0.0 109.321 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.5 92.0 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.14 111.97 21.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.971 0.891 . . . . 0.0 110.833 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -88.55 -178.37 5.82 Favored 'General case' 0 CA--C 1.576 1.963 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.56 150.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.78 97.82 1.85 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 119.623 -1.923 . . . . 0.0 113.143 -166.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.81 41.65 97.43 Favored Glycine 0 CA--C 1.553 2.441 0 N-CA-C 117.847 1.899 . . . . 0.0 117.847 -162.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.8 94.97 1.6 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 118.822 1.311 . . . . 0.0 111.265 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -100.05 101.35 12.4 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.552 0.741 . . . . 0.0 111.257 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.14 103.33 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -109.93 127.65 54.88 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -169.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -129.9 124.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.77 120.36 41.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 123.399 0.68 . . . . 0.0 111.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mm -124.68 110.97 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.469 -0.769 . . . . 0.0 109.755 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -85.24 117.12 23.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.907 -1.12 . . . . 0.0 112.53 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.35 68.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-O 121.618 0.723 . . . . 0.0 112.175 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.429 ' OG ' ' OE2' ' A' ' 53' ' ' GLU . 40.0 t -109.85 85.54 2.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.696 -1.252 . . . . 0.0 109.997 169.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.348 1.8 t -152.37 -97.17 0.05 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.462 -166.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.56 -117.88 0.89 Allowed Glycine 0 N--CA 1.491 2.361 0 CA-C-N 121.606 2.003 . . . . 0.0 114.376 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -81.0 70.86 7.92 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 122.265 1.031 . . . . 0.0 111.573 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -149.65 -54.71 0.17 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 124.383 1.073 . . . . 0.0 110.388 -159.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -52.95 -32.91 48.5 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 164.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.05 -50.58 70.56 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 164.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -62.77 -43.36 99.02 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 171.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.32 -52.09 66.76 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 166.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.07 -44.23 67.35 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -58.88 -52.24 66.59 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -62.96 -36.03 82.11 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.34 -41.27 80.96 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 171.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.79 -55.75 10.63 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 120.133 1.333 . . . . 0.0 114.536 161.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -53.39 -37.79 62.79 Favored 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 167.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.53 88.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.16 -43.84 82.92 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 167.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.45 96.39 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 167.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -60.84 -42.23 97.37 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 166.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.56 66.56 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.0 75.56 0.85 Allowed Glycine 0 N--CA 1.492 2.406 0 CA-C-N 119.83 1.196 . . . . 0.0 114.319 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.43 137.56 32.6 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -167.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.16 -48.92 7.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -130.81 121.17 24.86 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 119.095 0.861 . . . . 0.0 109.429 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.27 106.05 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -91.55 90.24 7.53 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.346 0.594 . . . . 0.0 109.428 168.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -89.66 120.86 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 m -112.43 110.55 20.81 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 tt -97.72 105.71 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -81.19 85.44 6.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.0 111.72 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 149.88 26.33 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.429 ' OE2' ' OG ' ' A' ' 22' ' ' SER . 8.0 pt-20 -88.95 -22.81 22.87 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 -174.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -136.54 159.98 40.17 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 120.035 1.289 . . . . 0.0 110.932 173.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -56.84 -48.98 76.81 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -60.88 -47.51 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -59.45 -42.82 92.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.14 71.07 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 164.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.43 -47.44 81.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 168.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.12 -49.87 75.47 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.35 -39.84 94.68 Favored 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -46.82 -56.42 6.3 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 160.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.52 -46.8 88.83 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.46 -50.44 69.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 171.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.91 -49.76 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-N 119.463 1.029 . . . . 0.0 112.87 171.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.63 83.17 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -64.22 -43.54 94.66 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 120.97 1.714 . . . . 0.0 114.927 164.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.44 -53.41 51.77 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 171.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -29.73 61.73 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -62.0 -47.6 84.05 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.485 1.493 . . . . 0.0 114.502 161.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -52.16 -46.53 65.52 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 166.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.3 5.97 15.63 Favored 'General case' 0 CA--C 1.578 2.046 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 176.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.36 42.76 11.3 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -119.2 96.32 5.17 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.2 1.0 . . . . 0.0 108.562 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -83.73 -40.82 18.37 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 -163.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -84.73 89.1 7.43 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 120.59 1.541 . . . . 0.0 110.609 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -99.03 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -166.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -111.11 101.11 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.488 0.661 . . . . 0.0 109.933 -170.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.62 131.66 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -126.5 118.57 25.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.537 -0.727 . . . . 0.0 109.29 160.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.2 t -91.26 115.58 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -86.55 75.47 9.72 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.191 -0.943 . . . . 0.0 111.126 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.2 -84.17 0.61 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.369 -0.832 . . . . 0.0 114.239 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.5 p -105.72 -23.41 12.74 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 167.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -82.05 115.29 21.12 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 120.415 1.461 . . . . 0.0 111.33 -167.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -91.79 105.38 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 121.109 -0.994 . . . . 0.0 109.11 -169.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -93.28 93.07 8.01 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.065 0.546 . . . . 0.0 110.645 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.4 mt -91.42 113.8 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.846 0.831 . . . . 0.0 108.771 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -103.38 104.07 14.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.99 0.916 . . . . 0.0 110.018 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.5 m -103.11 114.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.398 0.618 . . . . 0.0 110.969 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -106.47 132.59 52.31 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.453 0.701 . . . . 0.0 111.059 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.42 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -133.06 95.7 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.03 112.16 19.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.515 -0.741 . . . . 0.0 110.299 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.0 mt -96.93 84.44 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -100.16 106.27 17.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.94 0.876 . . . . 0.0 108.93 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 mm -116.04 100.11 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -167.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -98.3 103.65 15.62 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 122.236 1.017 . . . . 0.0 110.211 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -87.51 94.86 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.31 98.55 5.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.492 1.139 . . . . 0.0 109.698 168.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.73 72.89 1.14 Allowed 'General case' 0 CA--C 1.567 1.628 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.468 -168.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.279 5.9 m-20 52.7 61.9 2.96 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.71 31.83 14.62 Favored Glycine 0 CA--C 1.553 2.435 0 N-CA-C 118.761 2.264 . . . . 0.0 118.761 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -162.39 106.85 1.17 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.686 1.743 . . . . 0.0 110.484 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.256 1.9 pm0 -84.02 118.88 24.34 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 119.596 1.089 . . . . 0.0 113.211 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.66 101.75 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -78.67 121.87 25.24 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.295 1.045 . . . . 0.0 113.581 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -112.65 100.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -103.3 77.89 1.56 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 122.919 1.342 . . . . 0.0 112.945 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 pt -99.22 81.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-O 122.159 0.981 . . . . 0.0 110.653 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 127.39 33.02 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -120.43 157.02 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 121.898 0.856 . . . . 0.0 112.841 -162.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -89.27 18.39 5.18 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 164.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.433 42.0 p 75.41 -121.4 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 125.382 1.473 . . . . 0.0 112.088 -174.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 35.82 60.26 0.83 Allowed Glycine 0 N--CA 1.502 3.08 0 N-CA-C 121.802 3.481 . . . . 0.0 121.802 173.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.324 57.5 mttm 64.62 -9.43 0.18 Allowed 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.291 3.071 . . . . 0.0 119.291 -168.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.36 -44.61 94.31 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.903 1.683 . . . . 0.0 114.26 165.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.41 -41.62 72.98 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.02 -53.84 53.48 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -52.95 -52.04 59.33 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.13 32.74 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 175.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 tp -53.6 -44.75 69.69 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.09 -49.2 73.21 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -72.63 -36.42 68.02 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.37 -43.5 88.45 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 167.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -49.87 -50.69 44.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -60.56 -52.0 67.03 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.92 99.12 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.51 -48.72 78.5 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 170.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.98 85.54 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 170.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -69.45 -42.97 74.23 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.12 -31.3 70.8 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.83 72.7 1.05 Allowed Glycine 0 N--CA 1.488 2.159 0 CA-C-N 119.729 1.15 . . . . 0.0 114.427 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.43 120.56 35.89 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -58.07 3.5 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.02 114.8 29.22 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.27 96.43 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.51 90.17 8.14 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 123.381 0.673 . . . . 0.0 110.486 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.3 mt -91.71 105.79 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -112.89 107.63 16.28 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.0 105.27 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -92.28 101.69 14.18 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.728 0.775 . . . . 0.0 111.646 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.17 160.88 13.95 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -170.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -61.86 -50.88 70.49 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -130.5 161.63 31.03 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 123.152 1.453 . . . . 0.0 110.66 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -58.13 -38.78 77.19 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 170.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -54.66 -50.07 69.08 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 166.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -55.86 -52.07 65.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 165.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.72 -41.08 66.65 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.543 2.424 . . . . 0.0 117.543 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.29 -55.64 32.25 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.37 -41.6 89.69 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.53 -48.76 79.58 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.9 tp -44.7 -53.22 7.52 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 162.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.21 -46.41 89.04 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -56.19 -48.87 75.52 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -61.65 -52.31 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 CA-C-N 119.538 1.063 . . . . 0.0 112.891 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.23 -46.17 69.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 171.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.2 -45.44 87.58 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 166.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -56.61 -52.05 66.35 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 169.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.81 -33.77 62.27 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -56.29 -45.81 80.05 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 157.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.42 -46.77 88.73 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.06 -45.37 95.05 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.99 56.73 0.25 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 115.828 1.091 . . . . 0.0 115.828 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -112.38 148.26 34.67 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.566 0.698 . . . . 0.0 111.357 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.02 -46.33 2.53 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.32 84.43 7.63 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 120.584 1.538 . . . . 0.0 110.065 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.8 mt -100.73 105.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -167.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.54 91.64 3.73 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.704 0.764 . . . . 0.0 109.645 -170.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.97 123.87 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.626 0 C-N-CA 123.714 0.806 . . . . 0.0 112.16 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -140.0 91.27 2.45 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.66 120.69 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 112.021 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.34 70.75 5.19 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.304 -0.873 . . . . 0.0 110.635 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.47 -81.75 0.6 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.794 -1.192 . . . . 0.0 114.401 -168.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.8 p -112.72 -2.99 14.33 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.15 97.08 10.13 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.41 1.459 . . . . 0.0 110.502 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.3 84.87 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.57 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -81.83 104.63 12.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.868 -0.52 . . . . 0.0 110.131 170.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.99 103.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 165.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -93.82 109.78 21.45 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 122.772 0.429 . . . . 0.0 110.116 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.8 m -104.94 131.09 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.485 0.66 . . . . 0.0 111.272 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -111.19 140.16 45.98 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 122.848 1.308 . . . . 0.0 108.975 174.041 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.29 86.0 mttt . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 t -130.76 70.3 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.688 1.131 . . . . 0.0 108.482 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 99.49 10.12 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.6 pt -94.49 102.05 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 124.053 0.941 . . . . 0.0 109.777 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -85.08 98.83 10.66 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.807 0.843 . . . . 0.0 109.301 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -109.74 97.52 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -107.54 110.97 23.02 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.697 0.761 . . . . 0.0 109.349 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.22 102.67 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -168.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -80.98 105.27 12.08 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.579 -0.7 . . . . 0.0 112.448 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -93.64 71.35 4.24 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.8 OUTLIER 50.22 88.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.618 1.567 . . . . 0.0 114.798 -168.462 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 -44.96 3.14 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 -167.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -81.44 92.65 6.49 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.052 0.941 . . . . 0.0 112.634 -169.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -68.9 94.34 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 123.423 0.689 . . . . 0.0 111.514 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 mm -88.08 105.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -101.23 112.45 24.94 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -164.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.31 89.24 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.621 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 97.59 7.41 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.347 0.659 . . . . 0.0 109.415 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 pt -138.66 148.84 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.7 0.762 . . . . 0.0 112.413 -163.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.12 103.13 15.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 0.0 110.845 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.13 54.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 CA-C-O 121.536 0.684 . . . . 0.0 112.442 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.0 p -90.53 76.55 6.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.377 -1.452 . . . . 0.0 112.039 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.1 114.78 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -166.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.65 139.98 39.99 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 116.396 1.318 . . . . 0.0 116.396 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.327 0.0 OUTLIER 70.94 -53.17 0.68 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -170.248 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -48.82 -42.72 37.03 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.269 1.4 pt? -56.27 -34.59 66.58 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 172.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -63.94 -44.52 92.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -55.41 -45.01 76.71 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.09 79.07 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 165.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.8 tp -49.63 -45.02 47.84 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.83 -48.59 79.86 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 172.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.06 -41.68 98.39 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 167.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.6 mt -62.1 -45.08 95.09 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -49.36 70.87 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 166.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -59.72 -43.27 94.23 Favored 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 169.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.65 71.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.29 -36.92 76.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 161.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -42.33 69.81 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 163.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -73.13 65.82 0.82 Allowed 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 120.929 1.695 . . . . 0.0 112.98 167.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.76 -63.65 0.09 Allowed 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.32 76.62 0.65 Allowed Glycine 0 N--CA 1.492 2.423 0 CA-C-N 119.247 0.93 . . . . 0.0 113.601 -164.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.29 143.05 45.85 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -165.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -102.79 -56.08 2.31 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.41 171.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.53 113.69 27.03 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 120.574 1.534 . . . . 0.0 110.167 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.26 98.94 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.01 109.94 18.86 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.394 0.616 . . . . 0.0 112.512 -171.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -106.43 109.61 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -106.84 110.37 22.52 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 118.304 0.502 . . . . 0.0 110.176 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.0 112.92 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.574 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -91.89 120.68 32.8 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.114 0.565 . . . . 0.0 112.013 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.63 171.84 7.91 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.91 -46.36 36.41 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.569 -1.332 . . . . 0.0 114.235 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -125.33 173.08 9.08 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 124.663 1.185 . . . . 0.0 110.079 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.03 -47.65 84.45 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 170.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.72 -39.7 85.53 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -54.66 -51.43 65.49 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 166.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.91 90.49 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 169.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -61.46 -41.61 97.49 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.9 -45.21 78.68 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 167.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.8 -34.94 78.33 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.97 -51.36 30.9 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 160.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.74 -54.14 50.44 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 119.206 0.912 . . . . 0.0 113.339 168.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.37 -49.77 71.44 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 mt -66.16 -50.2 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 CA-C-N 119.869 1.213 . . . . 0.0 112.274 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.53 76.01 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -49.22 -43.83 42.9 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 164.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.36 -52.03 66.36 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 167.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.88 -38.32 79.59 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -38.12 88.37 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 164.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -57.32 -40.88 78.85 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.45 -52.91 63.19 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 120.15 1.341 . . . . 0.0 114.546 161.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.59 0.55 Allowed Glycine 0 N--CA 1.486 1.981 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.3 131.53 35.23 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.697 1.249 . . . . 0.0 111.281 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -90.67 -42.56 10.67 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.22 125.11 29.03 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 119.556 1.071 . . . . 0.0 110.216 166.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.0 mt -135.04 94.73 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.78 117.9 35.82 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.597 0.759 . . . . 0.0 110.405 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.46 112.3 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.277 -0.89 . . . . 0.0 108.771 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -111.93 114.29 27.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.64 -0.662 . . . . 0.0 109.72 171.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 t -100.36 104.51 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -90.9 78.21 6.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.236 -0.915 . . . . 0.0 110.668 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.83 -94.04 0.96 Allowed Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.481 -0.762 . . . . 0.0 113.937 -172.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . 0.262 8.9 t -125.75 49.6 1.93 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 122.738 1.256 . . . . 0.0 112.415 163.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.66 101.47 6.41 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.48 101.43 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -86.39 108.1 18.32 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 165.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.0 mt -98.33 103.15 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.698 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 165.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 105.75 16.75 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.091 1.356 . . . . 0.0 109.071 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.9 142.4 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.588 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -123.85 153.91 40.39 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.574 1.178 . . . . 0.0 110.287 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.495 1.795 0 O-C-N 120.898 -1.126 . . . . 0.0 110.33 -169.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tpmp? . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -77.19 90.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 164.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.09 114.09 15.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -166.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.256 45.2 pt -115.24 100.66 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 CA-C-O 121.622 0.725 . . . . 0.0 109.127 -162.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -104.72 93.63 4.85 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.26 99.56 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.306 13.6 ptmm? -105.77 114.05 27.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 122.815 1.293 . . . . 0.0 111.472 -171.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -107.0 104.48 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -158.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -102.12 134.02 46.04 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-O 122.568 1.175 . . . . 0.0 111.821 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -104.32 49.86 0.81 Allowed 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.67 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.296 16.2 m-20 42.55 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -163.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.91 -74.09 0.34 Allowed Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.935 -0.478 . . . . 0.0 113.404 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.84 122.5 26.16 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 117.442 0.621 . . . . 0.0 111.82 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -125.33 107.95 11.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.83 0.852 . . . . 0.0 110.358 -159.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.49 103.65 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.223 -0.923 . . . . 0.0 109.078 -166.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.42 114.23 21.75 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -106.79 101.37 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.14 95.51 5.83 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 121.565 0.698 . . . . 0.0 112.236 -164.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -121.56 148.33 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 C-N-CA 124.385 1.074 . . . . 0.0 109.811 -166.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 139.96 48.57 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 119.5 -2.0 . . . . 0.0 111.039 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.88 76.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-O 121.687 0.756 . . . . 0.0 110.278 -166.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -82.64 41.41 0.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -176.78 152.09 0.94 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.904 -1.123 . . . . 0.0 111.232 -152.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 138.27 35.56 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.092 1.197 . . . . 0.0 116.092 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.476 57.4 mttm 72.59 -20.35 0.27 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 119.93 3.307 . . . . 0.0 119.93 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.55 -48.12 78.8 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.109 1.777 . . . . 0.0 113.495 154.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.28 -46.08 69.16 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 168.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -54.63 44.28 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mtm105 -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.67 72.59 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -53.87 -46.75 71.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.22 -50.82 72.2 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.42 -36.08 73.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.14 -43.09 95.98 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 121.229 1.832 . . . . 0.0 115.174 168.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -50.42 -53.37 29.99 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 162.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -49.81 74.75 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 170.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.99 99.57 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.8 -46.91 87.48 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.57 78.5 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 167.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.71 -47.32 86.8 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 168.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.01 -43.35 62.22 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.53 72.05 1.06 Allowed Glycine 0 N--CA 1.49 2.265 0 CA-C-N 120.123 1.329 . . . . 0.0 115.337 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.34 143.67 33.19 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -96.27 -19.42 19.29 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -169.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -136.78 109.1 7.3 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.833 2.106 . . . . 0.0 110.021 161.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -111.85 111.55 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.385 -0.822 . . . . 0.0 108.945 -165.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -101.18 98.36 8.78 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.311 0.645 . . . . 0.0 110.589 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -89.94 110.29 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -98.06 126.85 43.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.45 111.28 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 170.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 t -73.53 123.69 24.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.945 162.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.13 25.37 Favored 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.98 -20.05 56.55 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 172.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -140.44 167.89 21.08 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 119.979 1.263 . . . . 0.0 110.572 165.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -63.3 -40.59 97.76 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 168.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.14 -40.92 82.53 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 164.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -56.84 -47.2 80.88 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 162.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -39.29 65.04 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -57.68 -54.1 50.72 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 166.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.99 -41.54 90.94 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.54 -40.46 94.74 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.67 -50.23 55.25 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 162.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.14 -43.28 99.17 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 mt -55.21 -37.76 67.55 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.786 2.084 . . . . 0.0 116.088 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.86 -58.97 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 CA-C-N 119.928 1.24 . . . . 0.0 111.614 165.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.15 71.04 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 169.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.97 -52.46 60.6 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 121.572 1.987 . . . . 0.0 114.985 160.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 90' ' ' VAL . 77.6 mt -59.94 -44.79 94.14 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -62.05 -42.92 99.69 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 165.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -48.2 80.35 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.96 -37.51 85.0 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.55 43.95 3.82 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -76.12 143.16 41.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.388 1.094 . . . . 0.0 111.914 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -56.37 3.08 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.18 85.62 3.25 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 121.347 0.594 . . . . 0.0 109.702 -163.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.02 111.18 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -164.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -112.21 119.55 38.73 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 123.917 0.887 . . . . 0.0 110.484 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.08 132.31 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -134.83 89.98 2.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.13 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.58 99.8 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.2 73.48 2.19 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 121.549 0.69 . . . . 0.0 109.72 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.27 -99.35 0.63 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.6 p -92.82 -19.96 21.2 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.68 105.22 6.6 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 120.032 1.287 . . . . 0.0 110.952 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.69 97.56 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -114.49 105.23 12.85 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.044 0.538 . . . . 0.0 110.234 -171.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -112.51 112.14 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -91.8 123.9 35.53 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.22 0.608 . . . . 0.0 110.127 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 69' ' ' LEU . 35.6 m -118.21 124.2 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.606 -0.684 . . . . 0.0 112.208 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -95.26 147.48 23.43 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.36 1.076 . . . . 0.0 113.076 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.625 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.5 t -122.78 73.87 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.26 98.84 10.05 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.525 0.679 . . . . 0.0 110.214 -166.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -83.19 103.75 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -101.09 103.79 14.89 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.92 127.91 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 14.3 ptpt -125.81 131.53 52.43 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.286 1.041 . . . . 0.0 113.706 160.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.0 mt -110.62 89.55 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -163.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.283 0.1 OUTLIER -87.74 121.1 29.75 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.522 1.056 . . . . 0.0 110.958 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -120.01 -134.63 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.237 1.015 . . . . 0.0 110.782 -169.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.77 90.62 1.87 Allowed 'General case' 0 CA--C 1.572 1.802 0 O-C-N 120.959 -1.088 . . . . 0.0 111.071 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.87 27.09 63.88 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 120.515 2.966 . . . . 0.0 120.515 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -163.5 132.99 4.09 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 119.299 1.55 . . . . 0.0 110.065 -161.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.05 132.34 54.45 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.75 112.67 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.24 128.73 53.57 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.8 mm -136.83 112.82 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.85 126.33 52.05 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.356 0.98 . . . . 0.0 111.068 164.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.91 116.44 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.341 -0.849 . . . . 0.0 109.657 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.43 103.56 15.47 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.341 0.656 . . . . 0.0 112.444 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.2 m -116.43 78.56 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.558 0.694 . . . . 0.0 110.058 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -71.06 86.76 0.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -153.13 141.41 20.57 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.178 -154.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.28 -61.82 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.61 3.77 10.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.261 24.4 mm-40 -84.61 -17.75 37.71 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.541 1.973 . . . . 0.0 116.128 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.92 -30.09 32.31 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 158.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.06 -49.16 3.38 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 164.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HD2' ' H ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -67.21 -49.46 64.48 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.91 81.14 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 167.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.78 -42.33 79.23 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -68.07 -38.65 82.65 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 167.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -58.43 -43.59 88.78 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 120.741 1.61 . . . . 0.0 115.296 165.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.04 -42.33 98.28 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 165.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -54.03 51.41 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -43.35 -53.11 5.5 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 163.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.59 81.05 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.37 -50.88 72.06 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.05 -42.82 86.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -68.54 -34.52 75.99 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 169.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.53 -51.95 20.81 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.69 76.51 0.73 Allowed Glycine 0 N--CA 1.493 2.47 0 CA-C-N 119.831 1.196 . . . . 0.0 115.424 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.3 155.34 24.23 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -167.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtp-105 -75.83 -72.49 0.31 Allowed 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -118.83 98.41 6.19 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.43 111.07 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 -169.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -83.3 98.35 9.38 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.758 0.423 . . . . 0.0 110.252 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.501 HD12 HD21 ' A' ' 69' ' ' LEU . 42.1 mt -91.76 110.61 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 167.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.5 m -116.24 144.52 44.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.69 0.796 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.13 118.06 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.351 -0.843 . . . . 0.0 108.92 162.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.3 t -81.57 94.77 6.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.936 -0.477 . . . . 0.0 110.759 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.43 165.24 15.05 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.52 -44.36 74.8 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -133.21 160.76 36.31 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.123 0.963 . . . . 0.0 111.536 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -58.83 -43.48 90.68 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 169.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.36 -41.42 93.64 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.14 -49.72 75.04 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -29.83 40.85 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 168.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -59.49 4.44 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.017 1.735 . . . . 0.0 113.705 171.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -68.71 -27.31 65.83 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 171.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.57 -39.03 91.19 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-N 121.613 2.006 . . . . 0.0 115.397 163.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.12 -58.21 6.04 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 162.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.71 -44.37 96.67 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 170.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.48 -45.96 66.35 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 122.463 2.392 . . . . 0.0 115.964 170.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.73 -53.86 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.077 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.736 168.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.11 -45.72 68.39 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-N 122.129 2.24 . . . . 0.0 117.045 174.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -51.44 -46.62 63.05 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 166.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.64 -55.0 40.49 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.618 HD22 HG11 ' A' ' 90' ' ' VAL . 66.4 mt -56.84 -41.16 77.38 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.66 -40.5 97.24 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 168.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.62 -41.94 77.96 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 165.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.98 39.46 3.55 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 116.959 1.543 . . . . 0.0 116.959 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.17 146.19 23.85 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.744 0.783 . . . . 0.0 111.607 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.98 -51.12 3.1 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -86.92 93.46 9.33 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 120.263 1.392 . . . . 0.0 108.588 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -88.81 87.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -94.37 87.97 5.37 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 122.046 0.926 . . . . 0.0 110.74 -163.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.13 121.86 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 123.531 0.732 . . . . 0.0 111.467 -164.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -128.46 99.42 5.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 63.0 t -91.41 103.46 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.125 -0.984 . . . . 0.0 108.796 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -99.39 82.62 2.7 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.701 0.762 . . . . 0.0 109.959 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.32 -104.64 1.47 Allowed Glycine 0 N--CA 1.49 2.266 0 O-C-N 121.645 -0.659 . . . . 0.0 113.84 -171.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 p -104.18 -0.95 27.88 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.27 114.55 6.07 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.246 1.839 . . . . 0.0 111.267 162.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -93.84 75.08 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -91.12 96.99 10.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.857 -1.152 . . . . 0.0 111.192 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.8 mt -106.71 106.37 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -85.22 110.59 19.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 170.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.618 HG11 HD22 ' A' ' 69' ' ' LEU . 18.3 m -96.61 137.91 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.4 -0.813 . . . . 0.0 113.156 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -128.4 140.19 51.98 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.511 0.672 . . . . 0.0 110.598 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 120.946 -1.096 . . . . 0.0 109.237 -171.247 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.925 0 CA-C-O 121.797 0.808 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 50' ' ' ILE . 23.4 t -70.99 95.86 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.706 -1.246 . . . . 0.0 110.529 175.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.29 84.47 6.86 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.55 0.69 . . . . 0.0 109.609 170.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.85 111.58 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.9 p -110.91 114.58 28.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -172.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.44 98.26 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -90.09 101.92 14.63 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 121.844 -0.535 . . . . 0.0 109.565 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.62 107.67 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -98.7 118.51 35.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.423 -0.798 . . . . 0.0 111.308 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 82.32 1.75 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 25.92 64.19 0.07 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.84 -54.16 0.73 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -163.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -80.25 101.3 8.8 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 118.275 1.038 . . . . 0.0 111.943 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 104.37 16.07 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.378 0.671 . . . . 0.0 110.775 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mm -101.06 99.38 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -174.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -89.9 116.28 27.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.069 0.548 . . . . 0.0 112.001 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.52 110.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.63 147.55 27.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.044 -1.035 . . . . 0.0 112.084 160.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 43.4 pt -126.13 97.8 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 148.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -79.6 95.8 5.98 Favored 'General case' 0 CA--C 1.569 1.7 0 CA-C-O 121.847 0.832 . . . . 0.0 112.829 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -116.96 128.46 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.529 -0.732 . . . . 0.0 110.487 -158.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -113.52 72.76 0.79 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.285 -0.885 . . . . 0.0 112.743 171.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.3 p -155.23 147.61 23.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.906 -0.496 . . . . 0.0 111.463 -165.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.66 -97.33 0.09 OUTLIER Glycine 0 N--CA 1.492 2.389 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -76.38 -10.63 59.55 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.2 -35.75 79.82 Favored 'General case' 0 CA--C 1.575 1.916 0 O-C-N 120.406 -1.434 . . . . 0.0 114.825 160.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.74 -43.79 98.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.84 -52.13 51.6 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 164.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -64.14 -41.56 97.14 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 173.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.66 97.36 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.14 -42.79 91.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 166.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.29 -44.34 75.6 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 165.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.82 -40.36 88.01 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 167.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.93 -43.18 81.21 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -55.28 20.97 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 164.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -50.09 62.48 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 168.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.01 87.9 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 172.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.08 92.72 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -65.15 -39.04 92.42 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.89 6.49 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 64.65 2.63 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.87 149.87 22.47 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.42 -55.63 16.97 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -113.16 126.53 55.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.72 114.85 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -112.47 94.39 4.9 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-O 122.126 0.965 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.16 127.22 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 123.881 0.873 . . . . 0.0 108.682 -167.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.4 m -127.18 117.76 22.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 119.452 1.024 . . . . 0.0 109.456 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -111.17 113.52 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.298 0.639 . . . . 0.0 110.297 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.2 t -76.28 95.34 3.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.567 166.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.6 151.53 23.37 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -70.98 -43.5 67.92 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -126.93 156.05 42.12 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.086 0.954 . . . . 0.0 111.214 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.58 -43.01 89.32 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.62 -40.0 93.27 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 167.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -60.82 -43.82 97.71 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 166.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.78 69.75 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 165.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.44 -54.88 34.91 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.56 -49.12 73.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.89 -39.26 91.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -52.98 -55.44 23.53 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 165.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.19 -44.39 95.12 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 170.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.6 tp -66.28 -46.61 76.41 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.4 -44.93 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-N 120.193 1.361 . . . . 0.0 112.013 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.48 74.39 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 169.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -55.63 -43.52 76.26 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 167.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.53 -52.9 63.01 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 167.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.03 -34.93 78.78 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.01 -47.95 81.5 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 159.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -45.71 84.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.68 -43.86 80.86 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 165.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.74 39.64 2.15 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -92.75 121.3 34.01 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.474 1.137 . . . . 0.0 110.458 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.55 -48.59 10.83 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -89.99 107.66 19.25 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 119.827 1.194 . . . . 0.0 109.218 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mt -116.26 95.95 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -169.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.51 109.0 20.28 Favored 'General case' 0 CA--C 1.566 1.595 0 O-C-N 121.371 -0.831 . . . . 0.0 110.706 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.45 113.25 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.456 -0.778 . . . . 0.0 109.219 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -123.73 76.25 1.41 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.423 0.689 . . . . 0.0 110.712 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.35 126.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.531 -1.356 . . . . 0.0 110.762 -168.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -106.42 84.94 2.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.41 0.624 . . . . 0.0 110.137 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.39 -101.95 1.04 Allowed Glycine 0 N--CA 1.492 2.428 0 O-C-N 121.362 -0.836 . . . . 0.0 114.965 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -97.56 -6.83 32.64 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.33 95.72 4.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.652 1.569 . . . . 0.0 110.192 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.42 103.65 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -98.71 122.38 41.87 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.434 169.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.3 mt -108.31 110.72 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 163.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -102.28 95.38 6.26 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.901 1.28 . . . . 0.0 109.079 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -96.75 141.16 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.264 -0.898 . . . . 0.0 112.826 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.82 143.71 50.93 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 123.481 1.61 . . . . 0.0 108.433 172.38 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.184 0.516 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -75.97 116.17 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.2 -1.563 . . . . 0.0 110.906 -167.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.79 114.18 26.66 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.66 0.784 . . . . 0.0 110.444 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mm -98.03 103.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 164.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -106.14 105.1 14.97 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 119.635 1.107 . . . . 0.0 109.41 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.61 108.87 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -170.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -92.84 104.09 16.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.649 -0.657 . . . . 0.0 109.893 170.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.86 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -95.91 86.71 4.41 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.299 1.047 . . . . 0.0 109.96 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -73.44 -47.83 38.46 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -177.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.48 -132.54 0.21 Allowed 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 157.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 42.42 1.16 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 118.052 1.981 . . . . 0.0 118.052 173.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -146.95 102.67 3.55 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.95 119.58 33.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -101.41 107.82 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.48 121.63 27.01 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 122.106 0.955 . . . . 0.0 113.181 173.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -117.37 106.36 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.265 25.7 p-10 -106.41 93.21 4.48 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 122.731 1.253 . . . . 0.0 113.061 -176.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.6 mt -93.39 109.36 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 C-N-CA 124.219 1.008 . . . . 0.0 108.473 -170.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -106.45 127.36 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.808 -0.558 . . . . 0.0 110.701 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.354 60.4 t 88.11 100.0 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 124.766 1.227 . . . . 0.0 108.168 -162.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 m -157.05 88.49 1.03 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.27 7.5 t -106.63 -64.5 1.17 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -166.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.86 -87.28 0.33 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.784 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -59.66 -43.09 94.07 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.46 -32.53 74.0 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 167.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.88 -45.61 89.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 161.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.06 -45.78 82.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 167.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -53.41 -54.36 37.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 169.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -57.27 13.77 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.67 -42.8 89.3 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.13 -41.16 64.28 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -58.99 -44.28 91.6 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.163 1.801 . . . . 0.0 114.818 168.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.15 -51.76 68.01 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 167.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -42.39 98.62 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 173.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -58.29 -49.62 76.49 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.383 1.624 . . . . 0.0 115.383 167.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.97 97.59 Favored 'General case' 0 CA--C 1.569 1.677 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.45 65.61 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.619 1.099 . . . . 0.0 113.958 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.54 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -80.98 50.13 1.34 Allowed 'General case' 0 CA--C 1.58 2.127 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.41 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.65 1.18 . . . . 0.0 111.682 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.47 72.02 1.3 Allowed Glycine 0 N--CA 1.491 2.307 0 CA-C-N 119.265 0.939 . . . . 0.0 114.982 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.43 129.29 37.44 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -66.75 -48.44 69.12 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -131.85 131.52 42.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.64 1.109 . . . . 0.0 111.749 171.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.81 111.95 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -102.53 106.95 17.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.693 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -104.4 111.15 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.7 107.19 19.02 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 162.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -101.42 108.23 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.586 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 171.32 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -88.11 108.3 19.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 111.156 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.61 153.29 22.49 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.58 -34.53 62.91 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -136.54 172.75 12.55 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.906 1.336 . . . . 0.0 113.518 171.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.51 -38.65 87.68 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.03 -40.36 90.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 170.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -51.77 -49.36 62.81 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 158.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.28 -29.28 60.94 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -60.97 -62.2 2.03 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 121.197 1.817 . . . . 0.0 113.621 166.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.85 -37.41 79.2 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.93 -34.57 76.86 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 171.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.12 -54.01 51.8 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 157.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.69 -57.69 11.64 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 116.899 -1.525 . . . . 0.0 114.147 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.6 mt -43.35 -37.52 2.31 Favored 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.1 mt -72.15 -59.45 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.887 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.946 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.7 74.24 Favored 'General case' 0 CA--C 1.58 2.133 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -51.5 -42.26 61.57 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 126.445 1.898 . . . . 0.0 115.882 162.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.8 tp -65.69 -50.7 63.95 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 165.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.76 -38.7 79.03 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.61 -42.22 96.39 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 164.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -63.73 -45.96 87.56 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.59 -47.05 87.91 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.42 51.38 0.58 Allowed Glycine 0 N--CA 1.488 2.156 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -121.67 108.55 13.68 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -66.72 -41.14 88.4 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -95.11 98.84 10.94 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -165.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -115.34 95.66 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -90.96 108.05 19.6 Favored 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 123.693 0.797 . . . . 0.0 110.617 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 62.6 t -104.57 120.47 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.23 0.612 . . . . 0.0 110.281 -167.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.86 111.2 18.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.466 -0.771 . . . . 0.0 109.291 161.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.06 101.45 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -97.45 78.59 2.69 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.685 0.755 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.19 -108.95 2.64 Favored Glycine 0 N--CA 1.492 2.42 0 O-C-N 121.492 -0.755 . . . . 0.0 113.612 -168.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.6 p -98.46 -5.55 32.18 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.76 104.72 4.06 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.176 1.353 . . . . 0.0 110.922 168.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.4 t -94.14 100.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.25 110.94 23.35 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 121.408 0.623 . . . . 0.0 110.508 -174.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.6 mm -111.87 107.27 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -171.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.7 115.89 29.72 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.695 1.236 . . . . 0.0 110.53 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.92 142.45 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.822 0.849 . . . . 0.0 110.906 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -132.02 157.13 44.91 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-O 122.019 0.914 . . . . 0.0 110.757 160.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.497 1.923 0 O-C-N 120.444 -1.41 . . . . 0.0 107.493 168.253 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp . . . . . 0 N--CA 1.494 1.76 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.3 t -121.57 89.53 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 167.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.12 102.52 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 161.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.47 107.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.672 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 172.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -115.27 105.13 12.52 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -156.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.41 110.37 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.44 -158.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -95.27 102.12 13.9 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.191 0.519 . . . . 0.0 109.78 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.2 mt -93.2 100.64 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.62 114.14 27.01 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.9 0.857 . . . . 0.0 110.705 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.53 55.69 3.67 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 121.485 -0.76 . . . . 0.0 111.22 171.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.26 5.4 t70 56.58 83.71 0.1 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.102 1.361 . . . . 0.0 112.962 -165.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 -54.04 4.84 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.934 1.534 . . . . 0.0 116.934 -168.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -65.43 111.55 3.12 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -110.5 139.89 45.31 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -159.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.2 mt -133.01 117.5 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 162.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -85.19 128.51 34.7 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.3 0.572 . . . . 0.0 112.015 164.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.5 mt -122.16 117.44 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -91.33 103.31 15.98 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.78 91.73 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.601 -1.312 . . . . 0.0 108.764 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -103.04 111.73 24.22 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.456 1.102 . . . . 0.0 112.453 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.56 140.86 47.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.995 0 C-N-CA 123.845 0.858 . . . . 0.0 110.196 -162.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -135.9 105.61 6.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 109.671 167.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 t -154.96 -174.43 4.98 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.94 0.876 . . . . 0.0 112.751 -168.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.04 -93.61 0.6 Allowed Glycine 0 N--CA 1.49 2.253 0 O-C-N 121.252 -0.905 . . . . 0.0 112.657 159.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -82.98 -32.9 26.78 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.18 -8.95 1.23 Allowed 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 121.282 3.808 . . . . 0.0 121.282 -156.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.4 -51.72 18.99 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 151.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -29.92 -56.86 0.18 Allowed 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 164.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -73.79 -39.13 64.35 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.88 97.71 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 164.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.79 -37.55 79.41 Favored 'General case' 0 CA--C 1.576 1.962 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -64.01 -31.9 73.25 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 164.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -67.81 -37.62 82.21 Favored 'General case' 0 CA--C 1.576 1.977 0 O-C-N 120.035 -1.666 . . . . 0.0 114.727 160.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.46 -44.53 92.98 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -56.84 -48.73 77.36 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-N 120.9 1.682 . . . . 0.0 115.533 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -51.73 -54.7 25.56 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 164.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.69 85.66 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.74 -47.15 84.79 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.38 76.33 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 168.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -79.73 59.66 3.15 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-N 119.382 0.992 . . . . 0.0 113.288 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.08 -54.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.456 1.102 . . . . 0.0 112.643 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.23 57.09 1.4 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 116.224 1.25 . . . . 0.0 116.224 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.56 138.13 31.74 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 121.995 0.902 . . . . 0.0 112.894 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -89.38 -50.69 5.97 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.586 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -106.54 146.66 30.35 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 121.649 0.738 . . . . 0.0 109.949 163.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.59 104.48 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 168.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -96.62 74.92 2.78 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.628 1.204 . . . . 0.0 110.819 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.21 133.82 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 C-N-CA 124.079 0.952 . . . . 0.0 111.074 -167.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -129.55 122.54 29.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.906 -1.121 . . . . 0.0 110.786 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.81 112.61 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.792 -0.568 . . . . 0.0 109.809 175.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -75.8 101.22 5.01 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.546 -0.721 . . . . 0.0 110.998 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.79 147.38 26.55 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 122.208 1.004 . . . . 0.0 113.591 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.45 -43.27 60.66 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.74 169.88 17.02 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.022 0.929 . . . . 0.0 111.814 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -57.45 -54.63 44.68 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 174.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.5 -36.95 85.48 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.83 -55.41 26.84 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 161.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.97 -34.22 59.13 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.34 -64.76 0.8 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 120.373 1.442 . . . . 0.0 113.546 166.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -61.91 -34.07 75.38 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 mt -65.99 -41.1 91.55 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 169.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -52.09 -58.62 6.02 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 156.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.22 -37.43 78.03 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.95 -45.31 60.66 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 159.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.83 -47.3 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 CA-C-N 119.797 1.18 . . . . 0.0 113.437 167.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.09 -48.49 78.48 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -49.16 -46.06 44.77 Favored 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 162.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.28 -58.39 8.73 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.74 -27.78 64.21 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -63.37 -41.5 98.82 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 159.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.21 -40.21 85.11 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 167.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.37 -42.2 96.3 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 165.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.53 48.01 1.01 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 116.366 1.307 . . . . 0.0 116.366 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.12 105.96 16.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -74.71 -43.94 52.53 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -95.4 118.37 32.02 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 119.581 1.082 . . . . 0.0 109.62 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.1 mt -130.07 104.59 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.75 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -166.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.27 130.95 37.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.396 -0.815 . . . . 0.0 110.726 172.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.27 110.94 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 120.958 -1.089 . . . . 0.0 109.201 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -109.36 111.77 23.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.644 -0.66 . . . . 0.0 110.614 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.76 111.1 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.15 73.72 6.28 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.289 -0.882 . . . . 0.0 110.699 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.31 -83.28 0.64 Allowed Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.527 -0.733 . . . . 0.0 114.333 -167.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -110.27 -36.77 5.72 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 166.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.57 117.15 11.73 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 119.739 1.154 . . . . 0.0 112.008 -172.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.12 117.17 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.165 -0.959 . . . . 0.0 109.121 -170.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -94.52 111.23 22.99 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.602 0.761 . . . . 0.0 109.538 169.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.49 111.2 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.718 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -100.43 93.4 5.62 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.406 1.082 . . . . 0.0 109.804 -171.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.79 145.89 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 121.262 0.553 . . . . 0.0 111.935 -170.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.11 39.28 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.556 1.17 . . . . 0.0 112.511 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -172.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.286 7.6 ttpt . . . . . 0 N--CA 1.503 2.188 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.44 100.89 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 148.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.1 109.68 21.71 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.386 1.474 . . . . 0.0 108.698 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -128.86 124.85 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.472 -0.767 . . . . 0.0 110.364 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 m -126.02 106.94 9.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -174.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -112.96 93.46 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -166.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -92.62 110.24 21.66 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 123.256 0.622 . . . . 0.0 111.134 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -106.21 103.46 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -171.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -78.88 114.49 17.86 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 119.685 1.129 . . . . 0.0 113.25 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -114.86 86.32 2.42 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 166.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.251 3.0 m-20 55.18 78.47 0.18 Allowed 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -40.27 2.13 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -79.8 101.52 8.54 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.59 99.12 4.19 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.748 0.785 . . . . 0.0 110.476 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.4 mm -81.6 96.41 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -95.81 118.65 32.87 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.909 -164.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.1 95.87 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 170.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.34 108.58 19.97 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 123.779 0.832 . . . . 0.0 109.613 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.2 pp -128.57 145.64 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 CA-C-O 122.423 1.106 . . . . 0.0 110.476 174.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 -137.1 77.85 1.66 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.366 -168.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.7 t -134.57 153.08 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -164.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -83.34 84.78 7.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 119.551 -1.968 . . . . 0.0 110.546 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.3 p -84.67 132.15 34.5 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -159.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.6 -99.35 1.17 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 123.693 0.663 . . . . 0.0 112.157 168.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -91.16 26.56 2.14 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 164.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -86.43 -49.66 7.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.613 -1.304 . . . . 0.0 112.632 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.7 tp -52.39 -39.32 60.71 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 159.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.02 -53.6 56.21 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.16 -43.27 92.1 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -52.63 63.81 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 165.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.62 -42.27 67.56 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.26 -53.18 59.26 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.82 -39.95 87.85 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 -40.24 95.66 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.27 -54.25 45.87 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 121.348 1.886 . . . . 0.0 114.21 166.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -49.52 -58.79 4.54 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 167.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.98 -43.18 95.29 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.46 -51.65 61.99 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.52 94.63 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 174.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -64.8 -37.73 88.59 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 168.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.58 -46.69 36.99 Favored 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.17 71.95 1.23 Allowed Glycine 0 N--CA 1.49 2.242 0 CA-C-N 119.509 1.049 . . . . 0.0 114.881 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.97 47.83 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.251 33.9 ptt-85 -94.87 -46.12 7.0 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -105.81 102.77 12.19 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 119.975 1.262 . . . . 0.0 109.405 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.02 105.85 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -169.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.28 103.58 16.22 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 118.303 0.502 . . . . 0.0 110.311 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.2 mt -98.58 104.11 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.8 m -104.82 116.0 31.27 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.682 0.674 . . . . 0.0 110.922 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -105.07 110.48 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 175.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -105.45 104.18 13.85 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.82 -179.74 4.39 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.42 -49.06 78.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.816 -1.177 . . . . 0.0 113.98 168.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -137.9 163.2 32.07 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 124.113 0.965 . . . . 0.0 109.692 171.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.0 47.49 0.53 Allowed 'General case' 0 CA--C 1.585 2.295 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 168.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -107.2 -50.92 3.0 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 124.403 1.081 . . . . 0.0 110.005 150.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -53.03 -54.23 38.44 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.7 88.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -56.46 -46.59 80.3 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 166.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.32 -42.27 75.58 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.5 -38.38 80.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 168.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -44.36 -54.51 5.76 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 161.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -57.69 -46.82 83.81 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.8 -47.28 74.21 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 168.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mt -60.09 -48.92 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 119.19 0.905 . . . . 0.0 112.752 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.28 66.1 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 169.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -54.03 -47.78 71.2 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.5 -55.87 19.05 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 165.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.16 -38.33 72.18 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -64.43 -39.69 94.31 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 165.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -60.03 -46.66 88.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 166.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.11 -44.99 94.11 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.02 66.32 0.45 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 119.146 0.884 . . . . 0.0 114.84 172.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.81 126.48 46.52 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 117.48 0.64 . . . . 0.0 111.017 -173.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.92 -47.33 7.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -93.69 104.94 17.01 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.503 1.501 . . . . 0.0 108.813 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.78 105.34 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -78.78 92.41 4.82 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 122.28 1.038 . . . . 0.0 110.532 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -82.49 112.5 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 C-N-CA 124.238 1.015 . . . . 0.0 108.736 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -134.08 109.98 9.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.7 -0.625 . . . . 0.0 111.905 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.92 108.18 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.12 0.968 . . . . 0.0 108.68 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -101.01 80.74 2.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.4 -101.87 0.81 Allowed Glycine 0 N--CA 1.494 2.504 0 O-C-N 121.002 -1.061 . . . . 0.0 114.951 -177.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.0 p -88.07 -17.68 30.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 166.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -100.89 97.96 8.5 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.637 1.175 . . . . 0.0 108.456 -161.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.42 101.24 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -168.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.28 117.08 28.74 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 121.678 0.751 . . . . 0.0 111.832 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.9 mm -102.86 99.86 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.633 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -102.76 103.56 13.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.433 0.635 . . . . 0.0 111.683 -170.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.02 140.59 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.534 -0.729 . . . . 0.0 110.802 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -134.88 95.68 3.38 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.499 1.986 0 O-C-N 120.338 -1.476 . . . . 0.0 108.456 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.54 84.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-N 120.464 1.484 . . . . 0.0 107.779 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.15 114.47 23.02 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 108.535 163.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.273 12.7 tt -97.01 107.98 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.752 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 161.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -108.59 118.74 37.57 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.17 126.21 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.3 108.16 19.42 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 160.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.05 93.05 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.31 88.56 7.51 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 123.275 1.512 . . . . 0.0 111.391 -171.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -87.4 151.41 23.1 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.423 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.63 92.59 0.86 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 112.474 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.08 -35.4 3.53 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -160.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -142.35 122.81 14.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 120.047 1.924 . . . . 0.0 111.44 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -86.22 100.96 12.61 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 109.531 162.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -85.34 97.86 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.94 146.76 45.51 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 -160.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 pt -145.82 135.63 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 123.02 0.528 . . . . 0.0 111.62 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -103.2 115.2 30.12 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.964 0.905 . . . . 0.0 110.111 162.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 pp -127.9 121.89 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.811 -1.181 . . . . 0.0 109.517 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -130.38 117.82 20.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.568 0.699 . . . . 0.0 112.492 -167.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.36 174.01 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 123.103 1.43 . . . . 0.0 111.251 -165.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -152.08 88.85 1.41 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 119.512 -1.993 . . . . 0.0 108.68 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -167.24 -54.6 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -158.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.26 -69.32 0.78 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.3 -0.875 . . . . 0.0 113.332 -165.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.45 -40.09 92.81 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.26 -37.31 86.73 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 122.062 2.21 . . . . 0.0 114.7 169.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.91 -43.48 86.22 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 162.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.93 -47.13 71.56 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.951 1.705 . . . . 0.0 115.495 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -49.18 78.58 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 167.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.49 88.31 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -52.18 -51.25 59.24 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 166.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.93 -39.3 93.85 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.88 -47.58 80.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 166.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -54.1 -47.42 71.79 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 3.3 pt-20 -55.72 -48.24 75.52 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 170.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -62.01 -54.31 43.41 Favored 'General case' 0 CA--C 1.572 1.803 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 171.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 -31.2 72.32 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -53.97 16.58 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 120.389 1.45 . . . . 0.0 113.476 166.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.14 74.74 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -80.49 61.22 4.15 Favored 'General case' 0 CA--C 1.579 2.066 0 CA-C-N 119.723 1.147 . . . . 0.0 112.476 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.199 1.399 . . . . 0.0 112.023 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.39 74.0 1.26 Allowed Glycine 0 N--CA 1.49 2.268 0 CA-C-N 119.447 1.021 . . . . 0.0 115.418 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.14 130.6 38.74 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -78.99 -43.19 24.9 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -117.98 133.1 56.24 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 119.5 1.045 . . . . 0.0 109.106 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.5 t -138.9 109.5 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.193 -1.567 . . . . 0.0 110.315 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -89.15 109.98 20.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.449 -0.782 . . . . 0.0 110.259 169.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -106.12 111.27 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.63 130.98 46.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.2 tt -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 122.557 0.343 . . . . 0.0 111.217 169.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.2 p -83.43 139.02 33.22 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.037 -1.04 . . . . 0.0 113.8 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.81 156.27 24.17 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.42 -38.22 86.95 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 167.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -147.19 174.77 11.29 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.284 1.034 . . . . 0.0 111.115 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.93 -45.8 92.1 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.67 -38.03 88.76 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 169.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.99 -39.35 89.31 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 163.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.55 90.96 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 166.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -52.99 -54.84 29.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 161.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.13 -33.95 76.55 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.89 -39.84 94.16 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 162.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.92 -53.34 54.1 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 161.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -30.98 63.49 Favored 'General case' 0 CA--C 1.578 2.042 0 N-CA-C 116.685 2.105 . . . . 0.0 116.685 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.05 -56.76 9.94 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.006 1.275 . . . . 0.0 114.386 163.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.49 -45.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.787 1.176 . . . . 0.0 113.391 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.88 -45.81 64.26 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 170.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -41.6 99.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 168.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.6 tp -53.89 -50.68 65.81 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 164.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.65 -34.57 77.22 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -62.92 -45.92 90.24 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 161.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.75 -48.23 69.91 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 167.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.12 -44.92 87.13 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.34 75.86 1.03 Allowed Glycine 0 N--CA 1.487 2.092 0 CA-C-N 119.637 1.108 . . . . 0.0 114.225 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -126.8 143.87 51.13 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.78 0.8 . . . . 0.0 112.179 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -74.29 -61.97 1.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -102.31 83.33 2.3 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.437 1.017 . . . . 0.0 109.565 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.2 mt -93.18 95.4 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -96.67 105.13 17.19 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.481 0.658 . . . . 0.0 110.602 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 122.23 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-O 121.675 0.75 . . . . 0.0 112.517 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -138.11 70.89 1.39 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -170.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.7 117.21 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.053 -1.029 . . . . 0.0 110.38 -166.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . 0.25 34.3 t30 -94.94 71.63 3.42 Favored 'General case' 0 CA--C 1.572 1.789 0 C-N-CA 124.488 1.115 . . . . 0.0 110.343 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.24 -104.25 1.16 Allowed Glycine 0 N--CA 1.491 2.367 0 O-C-N 121.478 -0.764 . . . . 0.0 114.875 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.6 p -92.69 -10.57 36.73 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 168.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.94 102.04 11.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.794 1.238 . . . . 0.0 109.872 172.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.66 94.88 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -171.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -92.21 113.53 25.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.3 mt -111.9 118.05 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.87 102.29 9.84 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.456 -160.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.04 131.56 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.434 -0.792 . . . . 0.0 109.924 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.15 132.43 56.08 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 121.554 0.692 . . . . 0.0 109.814 158.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.127 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.302 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 119.001 -0.523 . . . . 0.0 110.07 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.01 88.6 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 166.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.65 93.19 9.36 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 121.695 0.76 . . . . 0.0 109.507 -166.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.9 91.92 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -169.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.9 m -104.96 103.66 13.26 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.722 0.809 . . . . 0.0 108.934 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mt -103.83 106.01 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -91.63 103.22 15.84 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.874 0.87 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.0 94.71 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -94.73 107.89 19.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.403 -0.81 . . . . 0.0 111.848 -166.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtp-105 -123.75 75.06 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.077 0.551 . . . . 0.0 111.513 -170.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 48.77 62.22 2.69 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.25 -38.68 3.19 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 -166.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -78.6 81.34 4.92 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 119.343 1.571 . . . . 0.0 111.557 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -93.14 103.99 16.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.513 0.673 . . . . 0.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -97.71 106.43 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.81 120.02 40.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.697 0.799 . . . . 0.0 112.795 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.2 110.71 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -174.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -100.62 125.58 47.02 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.87 0.868 . . . . 0.0 112.706 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 pt -133.07 122.69 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 120.945 -1.097 . . . . 0.0 110.492 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -93.83 115.0 27.37 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.774 -1.204 . . . . 0.0 111.15 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.97 146.69 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 O-C-N 121.628 -0.67 . . . . 0.0 110.173 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -158.33 101.81 1.73 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.44 -2.038 . . . . 0.0 110.892 160.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -164.56 -39.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -172.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.7 68.0 1.72 Allowed Glycine 0 N--CA 1.497 2.743 0 CA-C-N 121.275 1.852 . . . . 0.0 115.082 -164.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.299 17.6 ptmt 176.0 -61.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.548 1.139 . . . . 0.0 111.49 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.26 -24.61 29.87 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.65 -50.03 64.0 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.015 1.28 . . . . 0.0 114.185 158.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -60.12 -36.81 78.29 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -65.73 -56.34 12.59 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 161.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.95 -48.3 81.03 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.59 -42.4 71.03 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -67.55 -43.18 81.31 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-N 120.902 1.683 . . . . 0.0 115.317 172.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.37 -31.16 72.12 Favored 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -69.9 -42.57 73.22 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 121.339 1.881 . . . . 0.0 115.353 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -43.79 -58.56 2.66 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 156.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -55.9 -43.19 77.03 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 170.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.73 -35.58 70.88 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 tp -59.75 -42.85 94.15 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.79 88.77 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 164.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -57.23 -46.49 82.92 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 164.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.22 -47.39 16.04 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.14 88.65 0.23 Allowed Glycine 0 N--CA 1.486 2.0 0 CA-C-N 119.457 1.026 . . . . 0.0 113.534 -168.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.25 124.48 24.57 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.717 0.759 . . . . 0.0 112.682 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -73.3 -45.23 56.65 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -95.89 116.24 28.63 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 119.897 1.226 . . . . 0.0 110.006 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.74 102.23 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.21 101.41 13.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.111 0.965 . . . . 0.0 110.151 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.07 107.4 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -101.23 122.74 44.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mm -112.52 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 165.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -85.42 102.35 13.38 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 119.117 0.871 . . . . 0.0 110.459 171.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.39 169.13 11.33 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -171.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.96 -47.51 68.44 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -130.14 153.43 48.53 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 122.282 1.039 . . . . 0.0 110.774 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -54.4 -34.17 60.77 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 161.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -57.04 -43.8 82.3 Favored 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 165.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.95 -40.33 88.64 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 167.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.15 57.09 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.01 -60.1 4.37 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 173.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.98 -35.77 81.3 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -56.99 -47.94 79.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 165.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.8 tp -52.14 -55.91 17.88 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 167.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.56 -43.19 94.69 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.86 -48.38 81.94 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.5 mt -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 CA-C-N 120.353 1.433 . . . . 0.0 112.836 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.13 82.64 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -49.81 -53.14 27.16 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 161.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -54.5 -53.04 59.61 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' HG ' HG21 ' A' ' 90' ' ' VAL . 4.2 mm? -74.85 -33.38 62.13 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -57.75 -40.52 79.89 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -57.88 -46.59 84.65 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 167.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.99 -48.75 67.5 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.38 57.16 0.04 OUTLIER Glycine 0 N--CA 1.487 2.042 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -127.39 99.77 5.77 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.74 -35.91 65.1 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -90.93 80.44 5.77 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.395 0.998 . . . . 0.0 109.962 -166.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.8 mt -99.82 100.21 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -167.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -113.6 109.64 18.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.507 -0.746 . . . . 0.0 110.602 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -104.17 136.47 37.3 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.23 115.44 30.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 151.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.3 t -85.22 95.18 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 164.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.34 86.42 2.42 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.609 0.719 . . . . 0.0 110.566 -166.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.5 -103.75 1.77 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.548 -0.72 . . . . 0.0 113.244 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.6 p -108.94 7.42 25.95 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 162.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.57 128.11 35.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 120.397 1.453 . . . . 0.0 111.915 166.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.05 89.43 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 151.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 92.06 7.19 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.334 0.653 . . . . 0.0 109.371 176.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -101.39 115.68 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -91.34 115.43 28.02 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.873 -0.517 . . . . 0.0 109.635 162.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' HG ' ' A' ' 69' ' ' LEU . 31.5 m -103.57 138.17 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-O 121.212 0.53 . . . . 0.0 111.33 174.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -128.95 159.64 35.22 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 122.354 1.073 . . . . 0.0 112.112 170.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.0 -1.063 . . . . 0.0 108.255 -175.506 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.6 mptt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.52 86.48 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -93.69 98.35 11.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -161.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mm -85.03 106.0 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 C-N-CA 123.338 0.655 . . . . 0.0 109.532 -171.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.1 m -105.15 100.1 9.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mm -86.55 104.81 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -101.19 103.35 14.38 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.536 1.062 . . . . 0.0 110.619 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.91 106.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -98.3 120.42 38.68 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.742 0.782 . . . . 0.0 110.776 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -135.09 131.0 36.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.684 0.794 . . . . 0.0 109.368 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.29 45.65 28.07 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 161.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.39 28.79 73.69 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 119.863 2.705 . . . . 0.0 119.863 -166.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -141.11 97.01 3.09 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 119.285 1.543 . . . . 0.0 109.407 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.15 101.98 14.7 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.91 0.884 . . . . 0.0 111.393 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -91.82 105.75 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.02 115.48 30.51 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.878 0.847 . . . . 0.0 112.622 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -113.18 114.04 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -75.69 116.61 16.58 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 163.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.269 9.8 tp -133.56 61.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.388 1.09 . . . . 0.0 110.04 174.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -71.82 141.41 49.64 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 -170.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.2 t -118.56 123.65 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.651 0.738 . . . . 0.0 109.639 -163.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -137.86 86.51 2.18 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 161.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.299 3.0 t -161.28 -71.09 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 119.016 -0.516 . . . . 0.0 110.888 -168.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.43 125.36 5.62 Favored Glycine 0 N--CA 1.491 2.337 0 CA-C-N 119.523 1.056 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.31 96.7 mttt 72.06 -41.07 0.49 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -169.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -77.32 70.72 3.74 Favored 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 124.092 1.901 . . . . 0.0 110.832 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.3 tp -168.13 -56.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.02 -1.9 . . . . 0.0 107.762 -159.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.72 -46.43 77.75 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 165.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -53.2 -50.96 63.59 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 166.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.52 81.21 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -49.18 -45.0 43.45 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.94 -47.0 76.13 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 172.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.78 -42.61 97.89 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 167.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.276 0.7 OUTLIER -59.5 -45.35 91.97 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.404 1.911 . . . . 0.0 115.589 169.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -50.05 -55.07 16.27 Favored 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 161.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.78 95.46 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -50.81 -53.21 33.91 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 166.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.43 64.47 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.92 -29.29 69.13 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.3 68.18 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.9 61.25 1.61 Allowed Glycine 0 N--CA 1.489 2.224 0 CA-C-N 119.636 1.107 . . . . 0.0 115.234 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.1 156.06 36.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -55.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 168.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -119.9 112.72 19.56 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.662 0.785 . . . . 0.0 108.958 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.92 116.55 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.271 15.8 pt20 -115.37 100.52 8.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.681 0.753 . . . . 0.0 111.547 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.17 113.29 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.8 m -99.09 107.5 19.91 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -104.05 112.08 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -97.56 108.29 20.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 110.917 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.75 166.7 10.74 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -171.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.48 -50.36 59.33 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -126.23 160.97 28.83 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.446 1.117 . . . . 0.0 111.99 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -56.41 -40.25 74.39 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.98 2.215 . . . . 0.0 116.98 168.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.48 -45.72 62.88 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 163.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -61.18 -53.75 53.02 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 168.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.29 -42.13 40.22 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.612 2.449 . . . . 0.0 117.612 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -56.8 -55.81 29.62 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 170.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.37 -36.11 78.72 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.0 -42.68 94.28 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 172.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.5 tp -42.92 -57.07 2.99 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 157.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.01 -46.73 83.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -54.9 -47.67 74.03 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 168.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.84 -47.89 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 120.146 1.339 . . . . 0.0 112.986 172.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.53 -50.74 62.25 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 168.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -55.06 -46.65 75.39 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 168.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.04 -57.29 9.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.71 -40.55 72.76 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.43 -45.61 80.66 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 163.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -57.15 -44.06 83.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.65 -53.02 60.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.38 68.86 0.05 OUTLIER Glycine 0 N--CA 1.487 2.057 0 CA-C-N 118.937 0.79 . . . . 0.0 113.85 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.69 135.53 38.27 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.012 0.525 . . . . 0.0 111.032 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -109.03 -49.14 3.17 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -172.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.17 82.81 7.91 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 120.068 1.304 . . . . 0.0 110.175 -170.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.26 98.74 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -166.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.73 102.31 11.89 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.035 0.922 . . . . 0.0 109.798 -173.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.48 129.94 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.431 0.692 . . . . 0.0 110.029 -172.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -132.12 129.84 40.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.502 -0.749 . . . . 0.0 110.1 162.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.8 107.34 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -94.66 85.71 4.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.506 -0.746 . . . . 0.0 109.959 172.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.66 -97.48 0.71 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 121.67 -0.644 . . . . 0.0 113.977 -173.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 p -107.97 2.15 23.05 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.4 96.46 8.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.477 1.49 . . . . 0.0 110.272 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.9 t -99.12 101.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -95.17 116.83 29.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.616 0.644 . . . . 0.0 112.365 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 mm -105.87 96.51 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -91.74 118.14 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.22 0.608 . . . . 0.0 111.633 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.31 127.94 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 122.84 0.456 . . . . 0.0 111.893 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -103.51 145.76 29.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.902 0.858 . . . . 0.0 111.575 169.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 123.345 1.545 . . . . 0.0 112.896 -176.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tttp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -83.35 112.19 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.567 0.747 . . . . 0.0 109.075 -170.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -75.69 119.73 20.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 168.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.97 85.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 166.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.0 m -84.88 115.57 22.84 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.956 -1.09 . . . . 0.0 109.975 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.52 112.22 32.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -108.27 111.31 23.2 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.564 -0.71 . . . . 0.0 110.004 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mt -89.49 104.17 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -95.77 89.77 5.41 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.508 0.671 . . . . 0.0 111.085 -171.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.11 74.33 4.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.939 -1.101 . . . . 0.0 111.353 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 52.91 58.31 5.46 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.64 -48.98 1.47 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 116.654 1.422 . . . . 0.0 116.654 -164.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.55 99.65 4.32 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.39 1.595 . . . . 0.0 111.347 -177.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.23 97.99 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.764 0.793 . . . . 0.0 112.456 -163.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 92.03 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.02 -1.05 . . . . 0.0 108.955 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.35 124.32 33.25 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.21 122.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.564 0.697 . . . . 0.0 110.406 174.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.88 92.23 5.73 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 124.179 0.992 . . . . 0.0 112.69 -172.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.7 mt -88.25 94.57 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.357 -1.464 . . . . 0.0 108.596 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -103.63 108.81 20.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.465 -0.772 . . . . 0.0 111.461 -168.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.9 137.21 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.344 -0.848 . . . . 0.0 110.564 -162.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 t -143.26 83.21 1.78 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.893 -1.13 . . . . 0.0 112.226 171.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.265 3.0 t -165.39 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.16 -62.77 0.42 Allowed Glycine 0 N--CA 1.491 2.329 0 CA-C-N 119.333 0.969 . . . . 0.0 114.01 -164.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.96 -129.06 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.796 164.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.286 19.0 tt0 67.5 -60.24 0.39 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -54.76 -47.15 74.23 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 162.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -51.32 -44.53 61.98 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.15 -49.31 74.87 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 168.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.34 92.86 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 116.655 2.095 . . . . 0.0 116.655 170.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.47 -44.59 65.69 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 170.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -59.58 -48.53 81.31 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 169.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.36 -37.94 89.27 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.78 -47.95 82.93 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 120.826 1.648 . . . . 0.0 115.118 169.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -49.65 -54.09 20.55 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 165.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -53.07 -55.44 23.81 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.44 94.81 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.77 -41.21 97.41 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.9 -51.56 57.6 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 166.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.43 -37.94 83.81 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.44 -35.44 70.92 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 167.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.04 68.21 1.14 Allowed Glycine 0 N--CA 1.487 2.079 0 CA-C-N 119.068 0.849 . . . . 0.0 113.886 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.96 93.51 9.5 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -43.25 73.07 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -121.93 129.82 52.84 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.499 1.045 . . . . 0.0 109.015 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.5 120.91 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.262 12.2 pt20 -103.42 112.59 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.557 -0.715 . . . . 0.0 111.687 167.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.26 113.56 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -107.02 109.84 21.83 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 116.87 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 122.672 0.389 . . . . 0.0 111.328 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -88.74 106.44 18.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.723 -0.611 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.64 160.07 14.9 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.2 -41.85 85.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 177.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -144.11 166.5 24.84 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 124.49 1.116 . . . . 0.0 110.866 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.57 -43.18 75.69 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.06 -44.74 96.04 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.2 -48.92 77.56 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 167.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.95 -42.96 63.27 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 164.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.49 93.0 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.74 -46.69 74.64 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 120.08 1.309 . . . . 0.0 114.238 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.28 -35.86 70.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 170.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.6 tp -52.06 -50.57 61.25 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 165.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -54.94 27.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 165.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.18 -45.0 72.0 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.9 mt -68.48 -57.09 10.08 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.996 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.815 169.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.97 67.17 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.97 -44.79 87.28 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.12 -52.05 65.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 164.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 HG21 ' A' ' 90' ' ' VAL . 65.2 mt -59.9 -50.45 73.72 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -62.19 -35.34 78.53 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -64.6 -40.08 94.88 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -49.01 79.22 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.08 57.97 0.33 Allowed Glycine 0 N--CA 1.485 1.936 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -109.25 112.51 24.7 Favored 'General case' 0 CA--C 1.561 1.384 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -63.23 -40.69 98.17 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -105.4 121.84 44.74 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 mt -125.94 94.74 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -108.65 99.82 9.14 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.446 -0.784 . . . . 0.0 110.399 -157.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -102.48 129.6 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 123.369 0.667 . . . . 0.0 111.148 -161.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -140.21 124.94 18.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.402 -0.811 . . . . 0.0 110.674 163.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.49 123.67 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 O-C-N 121.44 -0.787 . . . . 0.0 111.938 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -96.79 86.97 4.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.286 -0.884 . . . . 0.0 109.698 169.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.47 -93.75 0.72 Allowed Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.612 -0.68 . . . . 0.0 113.74 -172.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -110.07 -2.75 16.82 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 164.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -82.59 101.95 11.11 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.499 1.5 . . . . 0.0 110.894 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.7 t -85.99 100.49 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -94.69 101.24 13.08 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.643 0.777 . . . . 0.0 109.467 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.7 mt -102.9 108.91 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -94.75 114.58 26.51 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.227 0.537 . . . . 0.0 110.533 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.426 HG21 HD22 ' A' ' 69' ' ' LEU . 4.0 m -96.42 143.0 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 172.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.03 127.99 41.06 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 124.4 2.048 . . . . 0.0 111.251 -176.505 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 mttt . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.265 0.555 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -136.52 78.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 161.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.68 134.67 37.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.634 -0.666 . . . . 0.0 110.611 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 pp -107.0 111.03 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 157.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 m -108.88 103.07 12.05 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -112.33 106.42 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -110.87 118.04 35.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.345 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mt -97.34 109.4 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -82.47 82.53 7.87 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.659 0.742 . . . . 0.0 109.478 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -97.0 97.36 9.18 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.37 -0.831 . . . . 0.0 111.168 -162.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.366 7.8 m-20 77.56 -77.82 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 122.141 0.972 . . . . 0.0 112.196 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.87 57.48 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 CA-C-N 114.625 -1.17 . . . . 0.0 113.322 150.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -144.98 103.82 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 117.481 0.641 . . . . 0.0 109.803 -174.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.53 101.4 8.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.84 98.23 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.51 124.98 31.28 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.807 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.6 mm -117.63 95.81 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 167.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.55 96.79 6.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.301 1.04 . . . . 0.0 111.403 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.37 144.39 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.919 -1.113 . . . . 0.0 111.444 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -106.15 144.33 33.01 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.03 89.56 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.675 -0.641 . . . . 0.0 109.492 -161.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.7 p -103.85 84.16 2.22 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.522 -1.361 . . . . 0.0 114.446 -162.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -179.41 -54.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 123.71 0.804 . . . . 0.0 112.813 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.8 -59.63 0.45 Allowed Glycine 0 N--CA 1.49 2.259 0 CA-C-N 119.059 0.845 . . . . 0.0 113.526 -155.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -63.8 -44.2 94.01 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -53.78 -47.22 70.95 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 162.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.82 -47.42 85.18 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 173.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -51.19 -53.47 34.61 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 166.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.78 -47.33 86.14 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.3 47.0 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 170.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.06 -40.15 84.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.55 -53.31 48.01 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 165.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.255 15.3 tp10 -66.15 -32.19 73.48 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.6 -50.45 70.09 Favored 'General case' 0 N--CA 1.504 2.257 0 CA-C-N 123.489 2.859 . . . . 0.0 114.736 165.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -47.95 -52.83 18.09 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.77 -53.48 57.5 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 169.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.48 73.95 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -55.53 -45.46 77.19 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 170.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.65 -47.71 62.38 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 166.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -56.94 -51.41 69.27 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 -19.49 52.85 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.53 65.0 2.06 Favored Glycine 0 N--CA 1.489 2.205 0 CA-C-N 120.107 1.321 . . . . 0.0 114.515 -172.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 90.8 8.53 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.44 1.114 . . . . 0.0 113.19 -168.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -63.98 -44.33 93.03 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -136.35 103.19 5.2 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -171.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.26 114.88 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.116 -0.99 . . . . 0.0 108.965 -166.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 117.07 27.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.48 -0.762 . . . . 0.0 110.185 162.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.55 100.71 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -99.27 107.17 19.41 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 tt -103.44 116.83 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 t -101.14 106.35 17.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.969 -0.457 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.93 169.61 9.52 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -77.39 -44.18 30.13 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -107.69 154.04 22.05 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.084 0.856 . . . . 0.0 112.226 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.02 -45.46 94.71 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 165.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -54.97 -39.15 68.66 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 167.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.79 -53.72 55.2 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 166.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.5 79.79 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 171.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -51.16 -51.63 51.83 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 164.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.04 -44.43 92.53 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 170.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.53 -33.92 71.98 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 tp -54.91 -53.56 53.97 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 166.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -48.66 -57.42 6.29 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 163.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -57.75 -46.49 84.44 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.25 -56.21 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.007 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.131 170.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.05 66.06 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -58.64 -40.41 83.34 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 166.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -50.3 74.07 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 164.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.407 HD13 ' CG1' ' A' ' 90' ' ' VAL . 45.5 mt -58.46 -43.54 88.92 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -51.6 -46.66 63.63 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 161.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -18.36 63.55 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 171.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.6 -59.44 2.72 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.403 1.91 . . . . 0.0 112.844 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.95 79.03 0.45 Allowed Glycine 0 N--CA 1.484 1.89 0 CA-C-N 118.709 0.686 . . . . 0.0 113.165 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -132.9 127.56 34.64 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.269 0.628 . . . . 0.0 109.894 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.92 -46.01 54.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.98 127.24 39.65 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.4 mm -125.03 88.33 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -99.59 94.23 6.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 111.166 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -83.27 129.66 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 121.307 -0.871 . . . . 0.0 112.286 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 111.34 13.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 166.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 t -94.47 128.5 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.565 -0.709 . . . . 0.0 109.835 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -110.67 71.13 0.74 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.404 -0.81 . . . . 0.0 110.742 169.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.63 -98.58 0.35 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 121.546 -0.722 . . . . 0.0 114.844 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -91.93 -8.44 46.29 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.92 111.65 22.78 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 119.656 1.117 . . . . 0.0 109.852 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 t -103.95 102.5 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -90.85 102.1 14.86 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.62 0.645 . . . . 0.0 111.604 169.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.8 mt -94.88 105.07 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -87.89 106.27 17.99 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.481 1.112 . . . . 0.0 110.243 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 69' ' ' LEU . 35.4 m -104.0 128.95 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.142 0.496 . . . . 0.0 111.213 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -128.96 133.57 47.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.364 0.602 . . . . 0.0 110.837 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.263 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.645 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.3 108.73 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -122.99 110.85 15.89 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -172.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.16 91.07 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-N 120.074 1.307 . . . . 0.0 109.209 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -87.73 105.29 17.28 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 122.049 0.928 . . . . 0.0 108.565 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.93 107.83 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -98.94 97.33 8.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.321 0.581 . . . . 0.0 110.591 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -81.55 98.06 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -91.74 93.48 8.9 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.772 1.273 . . . . 0.0 108.355 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 123.13 49.59 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.103 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 37.54 69.54 0.23 Allowed 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 168.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.89 30.51 73.29 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 119.988 2.755 . . . . 0.0 119.988 -171.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -148.37 106.12 3.69 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 119.584 1.692 . . . . 0.0 110.83 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -82.74 103.34 12.17 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.928 0.891 . . . . 0.0 111.294 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.3 mt -104.96 100.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -98.84 121.28 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.93 97.5 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.76 107.96 19.62 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.014 0.926 . . . . 0.0 111.408 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.276 2.5 pp -127.27 130.88 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 120.895 -1.128 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -114.55 117.47 31.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.566 0.746 . . . . 0.0 110.105 -164.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.01 93.14 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.926 0.87 . . . . 0.0 109.654 -155.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -87.36 65.94 8.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.768 -1.208 . . . . 0.0 113.766 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -168.78 156.44 7.67 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.929 0.871 . . . . 0.0 112.322 -155.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.67 156.33 15.72 Favored Glycine 0 N--CA 1.492 2.375 0 CA-C-O 121.693 0.607 . . . . 0.0 114.171 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.363 60.5 mttp 72.27 -48.42 0.68 Allowed 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.78 -49.72 74.46 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 162.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 tp -54.8 -50.63 68.06 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -48.34 -54.83 12.43 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 166.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -61.68 -46.65 88.8 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.95 79.64 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.63 -40.18 78.61 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.64 -42.11 95.69 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.85 -36.85 81.05 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 121.128 1.786 . . . . 0.0 115.583 166.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -66.35 -40.25 89.69 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -44.24 -55.54 4.79 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 155.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -58.9 -52.48 65.58 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.03 72.59 Favored 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 167.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tt -54.24 -54.64 37.25 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.81 74.23 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 171.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -59.38 -33.12 70.8 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.14 75.29 Favored 'General case' 0 CA--C 1.566 1.595 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 168.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.87 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 119.952 1.251 . . . . 0.0 115.166 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.98 142.24 43.37 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -164.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -86.41 -44.83 11.71 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.13 100.48 6.57 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 119.628 1.104 . . . . 0.0 108.809 -174.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 t -108.92 115.24 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.25 -1.531 . . . . 0.0 108.56 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -107.21 98.37 8.01 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.585 0.754 . . . . 0.0 110.817 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.5 109.16 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -113.39 109.82 19.32 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -98.12 112.67 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.612 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -83.67 97.13 8.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.959 -0.463 . . . . 0.0 110.778 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.16 155.92 17.69 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.397 1.094 . . . . 0.0 113.864 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.05 -43.97 32.51 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -123.04 157.75 32.07 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 122.311 1.053 . . . . 0.0 111.67 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -51.72 -51.11 58.57 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 161.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -56.17 -33.43 65.25 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.3 -56.87 11.57 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 120.137 1.335 . . . . 0.0 113.632 161.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.76 51.06 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -50.56 73.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 171.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.25 8.5 pt-20 -72.94 -32.57 65.36 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 172.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.28 -39.66 95.2 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 165.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -48.28 -54.9 12.03 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 159.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -45.4 93.33 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 173.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 tp -54.04 -49.24 69.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.55 -48.37 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 CA-C-N 119.456 1.025 . . . . 0.0 111.952 171.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.42 -46.39 66.32 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 171.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -50.32 -51.48 44.99 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.89 -49.8 72.39 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 90' ' ' VAL . 73.3 mt -64.45 -41.25 96.65 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 174.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -59.44 -45.13 92.45 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 166.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -56.68 -48.11 78.38 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 164.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.36 -47.0 87.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 174.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.72 72.8 0.82 Allowed Glycine 0 N--CA 1.488 2.135 0 CA-C-N 119.294 0.952 . . . . 0.0 114.426 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -132.74 130.92 40.62 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.095 0.558 . . . . 0.0 110.613 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -81.32 -48.71 11.62 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -93.75 83.77 4.49 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.603 1.092 . . . . 0.0 109.709 -164.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.8 mt -97.21 95.28 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -168.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -88.38 96.27 10.53 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 124.466 1.107 . . . . 0.0 111.159 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.3 122.23 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 110.372 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -124.59 117.86 25.26 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 121.478 -0.764 . . . . 0.0 109.342 161.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.43 97.68 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 165.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -91.88 73.84 5.68 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 123.896 0.878 . . . . 0.0 110.471 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.14 -103.81 1.64 Allowed Glycine 0 N--CA 1.491 2.306 0 O-C-N 121.525 -0.735 . . . . 0.0 113.836 -167.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.2 p -102.13 -15.43 16.7 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 167.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -67.64 113.04 5.12 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-N 119.973 1.26 . . . . 0.0 111.629 169.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.0 t -100.76 98.82 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -96.75 100.73 12.26 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.285 1.034 . . . . 0.0 108.763 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.7 mt -112.3 105.36 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -100.92 118.49 37.06 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.363 0.665 . . . . 0.0 110.555 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 69' ' ' LEU . 31.2 m -101.34 131.52 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.209 1.004 . . . . 0.0 111.988 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -122.78 153.7 39.17 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 122.651 1.215 . . . . 0.0 110.506 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -172.621 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 . . . . . 0 CA--C 1.573 1.848 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.346 38.1 tpp 63.26 -101.81 0.1 Allowed 'General case' 0 CA--C 1.571 1.762 0 CA-C-N 120.094 1.316 . . . . 0.0 112.913 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -150.62 69.4 0.98 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 119.033 0.833 . . . . 0.0 109.399 170.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.8 t -141.92 89.33 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.64 112.0 23.59 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 5.1 mp -89.75 90.27 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m -104.93 116.87 32.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.897 -0.502 . . . . 0.0 110.442 -170.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.81 106.16 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -94.13 109.51 21.28 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 119.308 0.958 . . . . 0.0 109.469 164.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -89.33 110.92 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -86.84 107.69 18.42 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.822 0.82 . . . . 0.0 108.797 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -103.62 -175.25 2.75 Favored 'General case' 0 CA--C 1.571 1.775 0 CA-C-O 122.852 1.311 . . . . 0.0 111.773 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -64.06 91.2 0.07 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.69 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.91 18.78 79.36 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 120.166 2.826 . . . . 0.0 120.166 -175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -160.02 131.47 5.97 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.912 1.856 . . . . 0.0 109.544 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -91.27 136.24 33.24 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 121.418 0.628 . . . . 0.0 112.158 160.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.39 105.96 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -105.78 125.9 51.53 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.289 0.566 . . . . 0.0 111.551 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.2 pt -132.94 126.07 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 123.21 0.604 . . . . 0.0 109.537 173.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -110.93 129.68 55.81 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 123.441 0.696 . . . . 0.0 111.395 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.1 mm -116.61 82.64 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.4 ptt85 -96.8 121.25 38.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.787 -1.195 . . . . 0.0 113.354 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 m -150.93 138.58 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.613 -0.679 . . . . 0.0 111.699 -158.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.3 t -121.41 105.93 10.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.969 -1.082 . . . . 0.0 109.474 163.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -160.37 -66.04 0.07 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.1 130.82 5.55 Favored Glycine 0 N--CA 1.484 1.864 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -155.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.355 64.7 mmtt 77.52 -34.98 0.2 Allowed 'General case' 0 N--CA 1.503 2.197 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 168.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CD ' ' HE ' ' A' ' 29' ' ' ARG . 4.9 mm-40 -61.95 -30.73 71.11 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.315 2.339 . . . . 0.0 117.315 161.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.47 -54.32 42.5 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 119.902 1.228 . . . . 0.0 113.747 163.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.44 -49.36 74.79 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 168.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HE ' ' CD ' ' A' ' 26' ' ' GLU . 25.9 mtp85 -58.38 -49.05 78.62 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 172.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.81 87.28 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 166.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.2 tp -52.8 -42.14 64.81 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -59.55 -49.71 76.7 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 115.94 1.829 . . . . 0.0 115.94 169.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -67.2 -36.05 80.92 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.3 mt -59.83 -44.26 94.15 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 168.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -58.72 4.26 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.903 1.445 . . . . 0.0 114.903 166.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -50.36 -48.39 55.66 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.501 2.037 . . . . 0.0 116.501 166.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.96 82.52 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.78 -45.52 74.28 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.64 -47.72 77.49 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -60.84 -47.08 87.98 Favored 'General case' 0 CA--C 1.568 1.656 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 174.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.75 65.9 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 171.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.03 63.25 2.58 Favored Glycine 0 N--CA 1.488 2.164 0 CA-C-N 119.53 1.059 . . . . 0.0 114.597 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 94.77 9.98 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.682 0.753 . . . . 0.0 112.326 -169.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -72.72 -36.55 67.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -172.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -125.14 112.27 16.27 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 119.635 1.107 . . . . 0.0 108.242 176.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.62 124.77 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.144 -0.973 . . . . 0.0 109.557 -174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -99.33 104.08 15.95 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 165.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -92.25 113.77 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.7 m -108.81 112.62 24.98 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -102.76 105.7 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -75.07 84.87 2.31 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 124.786 1.234 . . . . 0.0 111.737 175.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.15 154.84 17.37 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -166.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.56 -37.0 57.3 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -146.73 171.34 15.31 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.544 1.164 . . . . 0.0 112.12 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.75 -44.43 85.91 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.2 -42.79 99.37 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -54.04 -53.72 49.13 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 163.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.28 55.15 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.73 2.492 . . . . 0.0 117.73 169.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -56.84 -61.64 2.3 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 120.574 1.534 . . . . 0.0 113.92 169.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -70.24 -28.72 65.48 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.1 -45.45 91.99 Favored 'General case' 0 CA--C 1.572 1.797 0 CA-C-N 121.349 1.886 . . . . 0.0 114.029 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 tp -46.14 -55.7 6.67 Favored 'General case' 0 N--CA 1.503 2.224 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 163.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.1 -34.2 68.44 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 175.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.5 mt -53.6 -44.55 69.51 Favored 'General case' 0 N--CA 1.505 2.306 0 CA-C-N 123.069 2.668 . . . . 0.0 116.069 162.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.31 -47.82 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.031 0 CA-C-N 119.524 1.057 . . . . 0.0 112.452 170.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.22 71.89 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 169.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 53.5 mtt180 -50.51 -47.38 57.38 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 166.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.8 tp -54.12 -59.54 4.51 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 167.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -74.41 -31.3 62.27 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -63.6 -35.2 79.73 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 161.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.69 -47.22 85.28 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 120.971 1.714 . . . . 0.0 114.729 165.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.2 -43.06 87.83 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.71 68.2 0.57 Allowed Glycine 0 N--CA 1.487 2.08 0 CA-C-N 119.457 1.026 . . . . 0.0 114.573 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.88 123.78 50.03 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.068 0.547 . . . . 0.0 110.484 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -73.62 -44.65 56.5 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.389 2.366 . . . . 0.0 117.389 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -102.67 80.72 1.94 Allowed 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 119.192 0.905 . . . . 0.0 110.083 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.2 mt -96.78 95.92 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 -166.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.88 102.86 12.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.504 -0.747 . . . . 0.0 110.792 -167.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -88.85 134.37 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.769 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 ttt85 -133.03 123.8 26.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.235 -0.916 . . . . 0.0 109.184 155.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.47 115.7 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -88.96 83.58 6.61 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.12 -89.96 0.5 Allowed Glycine 0 N--CA 1.492 2.396 0 O-C-N 121.917 -0.489 . . . . 0.0 113.926 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 68.2 p -104.68 -10.08 17.74 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 166.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -91.21 105.79 18.05 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 120.501 1.5 . . . . 0.0 109.985 -165.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.8 t -93.38 100.98 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -165.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -91.49 120.19 32.1 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 119.272 0.942 . . . . 0.0 111.524 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.9 mt -115.79 111.0 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 174.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -95.13 111.32 23.16 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.906 0.882 . . . . 0.0 110.111 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.59 123.12 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 123.103 0.561 . . . . 0.0 111.739 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.2 mtt85 -120.57 121.82 39.21 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 121.023 0.439 . . . . 0.0 110.388 -172.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 122.775 1.274 . . . . 0.0 108.59 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 CA--C 1.56 1.334 0 CA-C-O 121.103 0.477 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -77.23 115.07 16.7 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.245 -0.909 . . . . 0.0 110.718 174.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -118.13 -72.71 0.67 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.176 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -130.36 91.63 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.75 119.23 33.02 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.897 -0.502 . . . . 0.0 110.393 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.06 86.08 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.848 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -86.49 104.97 16.46 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 122.014 0.912 . . . . 0.0 109.088 176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.3 mt -95.21 134.94 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 124.004 0.922 . . . . 0.0 109.157 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -126.5 102.42 7.11 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 156.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.0 pt -98.84 116.45 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 121.28 -0.887 . . . . 0.0 110.778 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -89.1 102.72 15.37 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 121.549 0.69 . . . . 0.0 111.161 -175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -94.8 83.28 3.99 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.433 1.093 . . . . 0.0 111.053 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.9 55.09 10.08 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.95 -48.17 1.16 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 116.739 1.456 . . . . 0.0 116.739 -163.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -79.26 100.52 7.56 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 118.687 1.243 . . . . 0.0 112.948 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -79.28 107.27 11.92 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.011 -1.056 . . . . 0.0 111.659 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.2 mt -103.25 112.53 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -174.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -116.92 138.44 51.54 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -164.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -145.28 121.19 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -169.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -95.05 105.4 17.32 Favored 'General case' 0 CA--C 1.569 1.71 0 O-C-N 121.584 -0.698 . . . . 0.0 111.113 168.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.65 94.19 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -93.15 97.12 10.46 Favored 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 123.244 0.617 . . . . 0.0 111.971 -171.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.8 m -144.05 88.94 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.659 0.742 . . . . 0.0 110.957 -161.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.0 p -93.99 85.51 4.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.546 -1.346 . . . . 0.0 111.746 172.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -166.62 155.87 11.03 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 123.914 0.885 . . . . 0.0 109.814 -164.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.69 -64.19 1.91 Allowed Glycine 0 N--CA 1.495 2.569 0 O-C-N 120.77 -1.206 . . . . 0.0 114.397 165.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -70.89 140.26 51.0 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 122.389 -0.477 . . . . 0.0 111.791 168.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.4 46.0 mt-10 89.83 -51.4 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.498 1.119 . . . . 0.0 113.891 -165.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -55.28 -53.52 55.06 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 120.388 1.449 . . . . 0.0 114.866 170.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.06 -41.71 92.96 Favored 'General case' 0 CA--C 1.575 1.923 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 171.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.85 -46.13 90.79 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 169.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.28 -52.53 65.19 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 166.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 tp -49.21 -49.17 44.13 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 172.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.5 -21.0 61.27 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 117.357 2.355 . . . . 0.0 117.357 174.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -87.98 -32.34 18.9 Favored 'General case' 0 N--CA 1.498 1.97 0 CA-C-N 122.334 2.334 . . . . 0.0 115.257 163.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.24 -42.3 99.2 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 120.367 -1.458 . . . . 0.0 114.873 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -50.37 -42.07 52.8 Favored 'General case' 0 N--CA 1.504 2.24 0 N-CA-C 116.309 1.966 . . . . 0.0 116.309 160.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -66.99 -50.58 61.79 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.362 1.465 . . . . 0.0 113.77 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.08 63.93 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 165.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.37 -55.15 14.95 Favored 'General case' 0 CA--C 1.57 1.728 0 CA-C-N 120.05 1.295 . . . . 0.0 114.41 166.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.07 -51.32 62.1 Favored 'General case' 0 CA--C 1.565 1.523 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -80.45 63.66 4.98 Favored 'General case' 0 CA--C 1.579 2.07 0 CA-C-O 122.301 1.048 . . . . 0.0 112.211 170.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -172.45 -61.27 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 125.264 1.425 . . . . 0.0 111.049 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.74 78.74 0.98 Allowed Glycine 0 N--CA 1.487 2.089 0 CA-C-N 119.527 1.058 . . . . 0.0 114.314 -172.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.81 150.84 21.41 Favored 'General case' 0 CA--C 1.562 1.422 0 CA-C-O 121.759 0.79 . . . . 0.0 112.919 172.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -80.15 -69.71 0.57 Allowed 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.72 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -107.15 112.09 24.83 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 119.729 1.149 . . . . 0.0 109.528 173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.87 97.68 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -108.35 103.51 12.68 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 121.638 0.732 . . . . 0.0 110.402 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.0 mt -110.43 116.11 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.9 m -94.94 111.83 23.59 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.271 11.9 mt -100.97 103.48 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 173.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 p -90.97 104.94 17.47 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.783 -0.573 . . . . 0.0 111.973 -177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.36 169.26 9.68 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -174.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.47 -33.24 54.69 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 116.916 2.191 . . . . 0.0 116.916 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.84 158.13 44.59 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-N 119.759 1.163 . . . . 0.0 111.312 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.59 -47.56 85.08 Favored 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.77 -41.09 90.33 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 166.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.52 -41.94 95.44 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 169.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.81 82.04 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 163.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -55.54 -49.58 72.27 Favored 'General case' 0 CA--C 1.577 2.007 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 166.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -57.72 -43.4 85.25 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 171.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.38 -46.29 80.69 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 169.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.9 tp -45.22 -54.53 6.86 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 121.114 1.779 . . . . 0.0 115.774 164.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.49 -44.54 96.9 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.7 -48.55 77.45 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 168.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -48.7 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.626 1.103 . . . . 0.0 112.421 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.28 -43.64 64.55 Favored 'General case' 0 CA--C 1.572 1.825 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 171.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -56.67 -42.43 78.99 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 116.015 1.858 . . . . 0.0 116.015 165.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.02 -48.63 80.9 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 166.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.1 mt -50.55 -47.69 57.61 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -57.98 -44.85 87.35 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 172.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -62.28 -43.56 98.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 168.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.55 -45.31 93.55 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 169.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.52 38.05 3.82 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 118.145 2.018 . . . . 0.0 118.145 174.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -73.82 165.14 25.65 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.721 1.26 . . . . 0.0 113.967 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -111.01 -59.7 1.93 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.361 -0.837 . . . . 0.0 111.823 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.11 106.19 18.32 Favored 'General case' 0 CA--C 1.563 1.446 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 96.7 mt -118.6 107.65 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 -171.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -117.2 124.78 49.95 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 123.728 0.811 . . . . 0.0 111.568 -175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -106.74 128.22 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.271 -0.893 . . . . 0.0 109.412 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -129.84 104.65 7.51 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.048 -1.033 . . . . 0.0 109.679 165.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -95.63 105.78 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -92.02 83.95 5.24 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.479 -0.763 . . . . 0.0 110.076 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.73 -95.55 0.71 Allowed Glycine 0 N--CA 1.49 2.245 0 O-C-N 121.812 -0.555 . . . . 0.0 113.675 -172.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.5 p -110.74 1.38 17.81 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 166.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -80.0 97.96 7.0 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 120.595 1.543 . . . . 0.0 110.494 173.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.4 t -87.49 91.18 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -83.32 110.14 17.86 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.447 173.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.87 104.6 16.63 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.557 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 172.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -106.97 104.02 13.59 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.42 1.088 . . . . 0.0 109.642 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.1 m -123.46 137.09 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . 0.299 0.0 OUTLIER -134.38 161.93 33.62 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 123.15 1.452 . . . . 0.0 112.918 170.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.92 1.343 . . . . 0.0 109.025 -163.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.564 1.486 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 20.9 ttt -152.02 69.7 0.91 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.145 -0.972 . . . . 0.0 111.781 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.8 tttt 173.42 116.73 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 89.2 t -81.45 111.91 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.147 -0.971 . . . . 0.0 111.567 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -75.22 118.61 18.33 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 123.258 0.623 . . . . 0.0 110.921 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.275 38.0 pt -105.11 94.63 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 171.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -103.55 105.34 15.56 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.64 109.3 27.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -170.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -97.48 110.6 23.13 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-O 121.759 0.79 . . . . 0.0 111.203 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.8 mt -88.93 102.01 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -92.1 103.83 16.29 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 121.552 0.692 . . . . 0.0 110.24 -172.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -117.56 157.5 26.23 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.505 0.722 . . . . 0.0 110.89 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -61.91 116.83 5.2 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.919 -1.113 . . . . 0.0 112.802 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.37 -32.95 6.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 118.411 2.124 . . . . 0.0 118.411 -168.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -136.56 115.21 12.01 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 120.1 1.95 . . . . 0.0 110.233 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -86.72 111.29 20.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.527 -0.733 . . . . 0.0 109.035 160.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.7 mt -102.91 82.39 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -171.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -78.7 112.55 15.93 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.306 1.05 . . . . 0.0 112.514 168.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.1 pt -108.47 118.35 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.294 175.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -116.81 98.55 6.57 Favored 'General case' 0 CA--C 1.567 1.634 0 CA-C-O 122.245 1.022 . . . . 0.0 113.162 -163.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.48 134.28 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 C-N-CA 124.219 1.008 . . . . 0.0 108.831 -170.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -109.09 99.74 9.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 119.585 -1.947 . . . . 0.0 110.622 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.08 150.99 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 CA-C-O 122.818 1.295 . . . . 0.0 114.442 -162.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.7 m -87.22 102.92 14.94 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 124.369 1.068 . . . . 0.0 109.963 167.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.2 p -76.24 87.21 3.07 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -160.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.16 -82.7 0.04 OUTLIER Glycine 0 N--CA 1.487 2.084 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 158.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -71.04 -30.91 67.22 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 167.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -67.27 -48.5 67.53 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 120.996 1.725 . . . . 0.0 113.853 168.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.9 tp -47.33 -55.17 9.31 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 165.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -54.92 -49.11 72.09 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 116.415 2.006 . . . . 0.0 116.415 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -67.85 -43.85 78.53 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.61 -50.51 73.22 Favored 'General case' 0 CA--C 1.564 1.483 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 166.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 tp -50.93 -47.0 61.11 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.3 -47.01 87.85 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 168.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -72.15 -37.29 69.43 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.69 -43.04 89.88 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 164.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -51.31 -51.96 49.55 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 160.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -54.93 -53.18 58.84 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 170.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.23 93.62 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.866 2.172 . . . . 0.0 116.866 172.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.0 -49.31 68.22 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.24 86.54 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 174.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -81.79 47.13 1.05 Allowed 'General case' 0 CA--C 1.583 2.242 0 CA-C-N 119.29 0.95 . . . . 0.0 113.487 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -165.95 -63.9 0.03 OUTLIER 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.834 1.254 . . . . 0.0 111.599 -173.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.48 67.6 1.79 Allowed Glycine 0 N--CA 1.492 2.407 0 N-CA-C 116.967 1.547 . . . . 0.0 116.967 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.48 143.26 26.92 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -59.64 -47.06 87.08 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 -171.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -123.44 136.23 54.5 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-N 119.232 0.924 . . . . 0.0 109.698 168.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.31 126.03 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 120.81 -1.181 . . . . 0.0 108.623 -172.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -125.57 103.39 7.84 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.065 0.546 . . . . 0.0 111.116 -167.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.65 114.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 m -105.31 115.1 29.69 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 118.726 0.694 . . . . 0.0 109.45 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mm -109.73 108.95 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 t -81.22 84.13 6.65 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.463 -0.773 . . . . 0.0 112.017 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.95 155.28 25.31 Favored 'General case' 0 CA--C 1.559 1.325 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -164.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.42 -42.92 67.68 Favored 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -177.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -136.03 157.75 46.07 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 124.155 0.982 . . . . 0.0 111.062 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -57.48 -42.68 83.1 Favored 'General case' 0 CA--C 1.575 1.933 0 N-CA-C 117.662 2.467 . . . . 0.0 117.662 172.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -58.67 -45.42 89.45 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 169.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.05 -43.94 87.14 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 165.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.54 67.24 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 168.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -47.61 85.01 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-N 121.07 1.759 . . . . 0.0 115.411 165.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -57.73 -46.11 84.88 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 170.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.4 -49.57 76.33 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 170.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.8 tp -48.33 -53.29 17.96 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 116.217 1.932 . . . . 0.0 116.217 167.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.51 -48.86 80.02 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.85 -45.36 82.47 Favored 'General case' 0 CA--C 1.569 1.683 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.5 mt -68.06 -48.56 73.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 CA-C-N 120.189 1.359 . . . . 0.0 112.837 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.48 76.38 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 169.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -49.87 -46.35 51.43 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 163.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.79 -54.0 51.34 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 169.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 90' ' ' VAL . 4.3 mm? -70.54 -34.27 72.07 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 161.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -43.79 76.25 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 165.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.5 -5.8 26.43 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 118.22 2.674 . . . . 0.0 118.22 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.42 -1.81 56.01 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 119.78 2.672 . . . . 0.0 119.78 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.444 ' CD2' HG23 ' A' ' 90' ' ' VAL . 42.9 m-85 -81.56 154.04 26.43 Favored 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 119.963 1.882 . . . . 0.0 113.366 -172.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.85 -67.27 1.0 Allowed 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -161.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -85.6 83.43 7.89 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 119.751 1.16 . . . . 0.0 110.382 -166.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.0 mt -86.92 98.76 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -166.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -86.43 100.51 12.4 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 123.737 0.815 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.2 t -82.02 106.43 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -126.01 80.74 1.93 Allowed 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -171.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.24 110.71 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 109.743 -171.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -88.14 78.28 8.15 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.58 0.705 . . . . 0.0 111.047 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.44 -96.98 0.84 Allowed Glycine 0 N--CA 1.492 2.414 0 O-C-N 121.504 -0.747 . . . . 0.0 113.841 -173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.9 p -99.01 -7.49 26.78 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 163.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -78.04 100.26 6.43 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.919 1.691 . . . . 0.0 112.624 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -84.18 93.04 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.571 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -100.91 102.28 13.28 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.31 0.576 . . . . 0.0 110.06 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -106.73 103.96 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -170.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.71 119.59 39.09 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.533 0.733 . . . . 0.0 110.523 -176.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 74' ' ' TYR . 26.5 m -128.67 139.63 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.881 -0.512 . . . . 0.0 111.928 -164.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 -103.59 154.68 19.23 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.171 -0.956 . . . . 0.0 112.897 174.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.5 t . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 122.483 1.135 . . . . 0.0 110.068 173.638 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 . . . . . 0 CA--C 1.574 1.898 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.293 48.4 mtt 85.68 121.97 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 125.558 1.543 . . . . 0.0 112.648 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.416 55.9 tptt 74.22 -94.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.826 1.25 . . . . 0.0 113.155 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.5 t -142.81 99.3 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -101.73 154.18 19.13 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.814 1.293 . . . . 0.0 111.782 163.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.501 HG22 HD12 ' A' ' 50' ' ' ILE . 44.1 pt -126.67 88.7 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.389 0 CA-C-N 114.614 -1.175 . . . . 0.0 108.456 -171.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.8 m -92.75 94.08 8.79 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mm -118.37 112.34 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 121.055 -1.028 . . . . 0.0 108.383 -162.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -106.4 119.06 38.27 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.148 1.34 . . . . 0.0 111.099 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.61 100.17 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -98.47 123.85 42.85 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.774 0.797 . . . . 0.0 111.64 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 -122.47 64.35 0.95 Allowed 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 122.87 0.468 . . . . 0.0 110.876 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.47 83.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.08 -52.3 4.6 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 116.317 1.287 . . . . 0.0 116.317 -168.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -73.02 94.16 1.85 Allowed 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.753 0.821 . . . . 0.0 112.117 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.283 22.1 pt-20 -110.88 123.38 50.01 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.261 1.029 . . . . 0.0 113.41 176.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.73 122.51 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.29 152.6 47.38 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -162.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.2 pt -122.69 148.29 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.566 171.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -147.75 102.75 3.45 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.0 pt -158.47 112.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 121.218 -0.926 . . . . 0.0 110.678 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.266 38.8 ptt180 -77.14 129.3 35.81 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -130.17 91.44 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 C-N-CA 123.773 0.829 . . . . 0.0 110.75 -162.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.1 p -72.65 91.82 1.48 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.705 -1.247 . . . . 0.0 112.765 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -144.7 147.63 33.24 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.817 -154.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -88.75 1.91 Allowed Glycine 0 N--CA 1.49 2.29 0 O-C-N 121.846 -0.533 . . . . 0.0 112.285 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -93.77 52.01 1.63 Allowed 'General case' 0 N--CA 1.501 2.087 0 N-CA-C 113.591 0.959 . . . . 0.0 113.591 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.77 -53.43 0.93 Allowed 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.539 1.136 . . . . 0.0 110.505 -174.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.68 -32.86 31.48 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 155.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -40.96 -50.05 3.27 Favored 'General case' 0 CA--C 1.578 2.04 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 156.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -43.35 68.16 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 172.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.15 96.92 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 170.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.76 -36.07 75.89 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 115.966 1.839 . . . . 0.0 115.966 166.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -62.12 -38.21 88.04 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 165.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -69.52 -38.4 77.53 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 163.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.1 mt -56.23 -46.24 79.61 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 122.291 2.314 . . . . 0.0 114.77 165.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -47.32 -56.61 6.5 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 164.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -65.53 -43.61 89.46 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 173.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.5 -40.43 59.53 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 117.429 2.381 . . . . 0.0 117.429 168.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -52.97 -48.19 67.62 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 165.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.64 -51.89 20.84 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 116.074 1.879 . . . . 0.0 116.074 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -51.7 -44.8 63.29 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.87 -26.88 21.39 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.6 65.38 1.35 Allowed Glycine 0 N--CA 1.489 2.191 0 CA-C-N 119.796 1.18 . . . . 0.0 115.353 -175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.24 114.2 21.65 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.19 -52.17 17.8 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 172.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -142.81 127.99 18.66 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 119.674 1.124 . . . . 0.0 110.971 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.3 t -130.51 129.62 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -165.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.24 102.1 11.81 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 69' ' ' LEU . 4.2 mp -95.01 107.72 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -116.81 108.07 15.4 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 118.866 0.757 . . . . 0.0 110.268 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 4' ' ' ILE . 10.9 mm -101.7 110.73 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -79.94 93.34 5.68 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.697 -0.627 . . . . 0.0 111.04 176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.56 160.17 14.54 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -168.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.17 -42.41 59.93 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -141.52 160.82 39.35 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.976 0.91 . . . . 0.0 111.119 -174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -55.74 -47.5 76.83 Favored 'General case' 0 CA--C 1.577 2.004 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.57 -46.24 84.21 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 171.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.79 -49.1 77.75 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 166.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.55 80.67 Favored 'General case' 0 CA--C 1.568 1.644 0 N-CA-C 117.117 2.265 . . . . 0.0 117.117 169.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -53.33 -53.88 44.58 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -65.15 -42.6 93.64 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.24 -49.63 73.61 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 165.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 tt -48.81 -58.85 4.16 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.06 -46.74 82.22 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 172.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -52.39 -47.57 66.16 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 168.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.8 mt -61.79 -48.83 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 119.642 1.11 . . . . 0.0 112.896 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.02 -45.4 71.54 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 169.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -55.01 -47.95 73.99 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 164.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.46 -50.49 73.37 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD11 HD13 ' A' ' 48' ' ' ILE . 57.0 mt -69.76 -33.68 72.75 Favored 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -59.39 -41.88 90.41 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 158.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -55.7 -46.98 77.57 Favored 'General case' 0 N--CA 1.502 2.133 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.18 -46.57 80.26 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 50.88 0.24 Allowed Glycine 0 N--CA 1.488 2.1 0 N-CA-C 115.617 1.007 . . . . 0.0 115.617 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -107.99 100.09 9.47 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -76.39 -32.71 58.71 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -96.56 107.1 19.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.948 1.249 . . . . 0.0 109.127 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt -124.05 108.28 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -166.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -86.05 102.94 14.27 Favored 'General case' 0 CA--C 1.569 1.683 0 O-C-N 121.061 -1.024 . . . . 0.0 110.161 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.15 105.23 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 123.818 0.847 . . . . 0.0 109.211 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -131.1 108.44 9.75 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.231 -0.918 . . . . 0.0 110.1 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.99 113.83 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 O-C-N 120.966 -1.084 . . . . 0.0 109.95 157.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -95.91 84.77 3.92 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.077 -1.014 . . . . 0.0 109.479 177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.49 -95.5 0.88 Allowed Glycine 0 N--CA 1.49 2.285 0 O-C-N 121.756 -0.59 . . . . 0.0 112.712 -167.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.8 p -114.89 0.51 13.77 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 164.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -77.11 104.78 7.8 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 121.316 1.871 . . . . 0.0 109.947 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.2 t -86.64 90.51 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.748 -1.22 . . . . 0.0 108.858 -173.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.17 96.99 7.57 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.348 0.659 . . . . 0.0 110.27 -172.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 23.8 mm -107.44 112.74 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -115.1 110.12 19.06 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.629 0.771 . . . . 0.0 109.934 -171.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.69 150.85 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 133.66 30.88 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 172.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 175.635 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 N--CA 1.486 1.332 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.7 tpt -78.01 146.53 35.31 Favored 'General case' 0 CA--C 1.569 1.678 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -172.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.73 -54.64 3.97 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.5 102.88 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -110.49 114.85 28.59 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 170.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.0 mp -105.92 106.25 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 CA-C-N 119.289 0.95 . . . . 0.0 108.922 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.2 m -97.82 113.74 25.61 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 124.349 1.06 . . . . 0.0 109.463 172.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mm -116.91 100.0 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -99.47 95.74 7.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.764 -0.585 . . . . 0.0 111.185 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.5 mt -85.74 99.07 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -103.76 87.54 2.84 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.896 0.878 . . . . 0.0 109.111 -170.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -88.22 75.63 8.56 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -171.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.6 OUTLIER 57.9 65.02 1.39 Allowed 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.28 34.74 50.4 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 118.731 2.252 . . . . 0.0 118.731 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -154.24 106.74 2.81 Favored 'General case' 0 N--CA 1.492 1.625 0 CA-C-N 119.461 1.63 . . . . 0.0 110.084 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.81 107.33 19.13 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.439 1.096 . . . . 0.0 113.475 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -92.94 96.51 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 170.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -102.11 109.15 20.79 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -100.18 89.83 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.76 102.99 12.17 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.763 0.825 . . . . 0.0 109.565 -175.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 pt -131.23 144.64 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 122.109 0.957 . . . . 0.0 112.76 -163.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.69 111.76 22.35 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.077 0.951 . . . . 0.0 109.464 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.68 83.43 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 121.381 -0.824 . . . . 0.0 110.663 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 t -83.98 72.87 10.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.467 -1.396 . . . . 0.0 114.249 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 t -166.1 120.82 1.18 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -165.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.46 33.88 0.98 Allowed Glycine 0 N--CA 1.497 2.734 0 N-CA-C 121.394 3.318 . . . . 0.0 121.394 -169.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -142.0 -37.59 0.4 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.441 1.097 . . . . 0.0 112.775 164.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.94 -30.51 70.66 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -56.71 -42.44 79.14 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 160.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.09 -49.12 75.71 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -54.52 -47.18 73.42 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 170.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.4 -51.41 69.5 Favored 'General case' 0 CA--C 1.566 1.575 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 164.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tt -49.83 -43.54 48.89 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 171.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -63.33 -31.29 72.41 Favored 'General case' 0 CA--C 1.574 1.904 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 171.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -81.72 -40.64 22.45 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 165.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -53.52 -42.12 67.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 166.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.264 1.1 pt-20 -54.69 -41.88 70.75 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 164.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -63.21 -45.07 93.37 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 170.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.11 95.54 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 166.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.5 -53.45 56.23 Favored 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 165.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.86 -34.3 77.49 Favored 'General case' 0 CA--C 1.565 1.551 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -78.74 72.45 5.26 Favored 'General case' 0 CA--C 1.571 1.76 0 CA-C-N 120.472 1.487 . . . . 0.0 112.506 173.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 51.76 54.86 10.22 Favored 'General case' 0 CA--C 1.572 1.793 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 -174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.7 73.34 2.68 Favored Glycine 0 N--CA 1.487 2.035 0 N-CA-C 116.316 1.287 . . . . 0.0 116.316 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 60.59 157.06 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 119.744 3.238 . . . . 0.0 119.744 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -81.71 -11.6 58.98 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 158.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -136.23 125.13 24.12 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.67 1.577 . . . . 0.0 108.714 168.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -128.25 115.0 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -94.62 102.57 14.48 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 123.016 0.526 . . . . 0.0 110.746 175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.55 105.22 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.9 m -116.74 107.15 14.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.489 -0.757 . . . . 0.0 109.431 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 17.1 tt -110.97 118.41 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 110.533 177.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -84.86 114.76 22.34 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 111.463 175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.14 163.52 24.04 Favored 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -51.53 11.3 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 163.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -105.4 156.31 18.3 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.535 1.16 . . . . 0.0 112.879 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -55.34 -50.57 69.28 Favored 'General case' 0 CA--C 1.572 1.808 0 N-CA-C 117.417 2.376 . . . . 0.0 117.417 172.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -68.9 -27.28 65.64 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.3 -37.52 85.87 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 121.01 1.732 . . . . 0.0 115.162 159.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.1 82.37 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 162.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -58.56 -49.42 77.48 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 163.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -54.63 -44.71 73.4 Favored 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 170.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.25 -35.29 79.83 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 168.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.56 -54.21 44.21 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-N 120.613 1.552 . . . . 0.0 115.022 159.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -53.06 -47.35 68.53 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.38 -53.64 54.05 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.75 -47.36 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 CA-C-N 119.838 1.199 . . . . 0.0 113.352 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.21 -46.05 65.49 Favored 'General case' 0 CA--C 1.572 1.789 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 170.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -55.52 -46.84 76.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.58 -52.84 63.96 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 172.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.29 -41.49 97.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -57.63 -50.08 74.35 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 163.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -56.41 -43.64 79.54 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.6 -33.45 75.96 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 169.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.83 32.13 6.67 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 118.082 1.993 . . . . 0.0 118.082 -175.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -97.48 109.96 22.61 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 118.941 1.371 . . . . 0.0 109.807 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -85.05 -43.69 13.69 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -164.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -81.48 118.04 22.4 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-N 119.798 1.181 . . . . 0.0 109.715 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.1 mt -128.81 104.59 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.888 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -171.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -97.86 103.27 15.19 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 124.226 1.01 . . . . 0.0 110.93 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.0 t -97.63 123.16 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 C-N-CA 123.391 0.676 . . . . 0.0 110.971 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -130.84 98.02 4.5 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.393 -0.817 . . . . 0.0 109.09 163.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.2 t -86.35 104.11 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -90.52 60.13 4.51 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.167 -0.958 . . . . 0.0 112.698 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.22 -76.98 0.59 Allowed Glycine 0 N--CA 1.493 2.468 0 O-C-N 121.008 -1.058 . . . . 0.0 114.948 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.2 p -95.23 -40.37 9.6 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -81.43 107.14 13.95 Favored 'General case' 0 CA--C 1.563 1.467 0 C-N-CA 124.331 1.052 . . . . 0.0 111.497 -173.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.7 t -88.83 85.98 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -91.27 94.73 9.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.507 0.723 . . . . 0.0 109.627 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 69.9 mt -108.99 105.5 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -99.52 120.52 39.78 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.749 0.82 . . . . 0.0 110.437 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.0 m -106.78 134.81 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.629 -0.67 . . . . 0.0 112.607 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.92 150.41 38.54 Favored 'General case' 0 CA--C 1.566 1.589 0 CA-C-O 121.733 0.778 . . . . 0.0 112.199 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 106.457 -1.682 . . . . 0.0 106.457 173.096 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 35.1 m170 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 119.136 -0.459 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.1 ttt -94.02 122.28 36.37 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 119.498 1.044 . . . . 0.0 110.442 177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.0 mttm -71.32 159.43 34.59 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.2 t -57.46 96.07 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.702 1.201 . . . . 0.0 114.047 -164.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -107.22 115.54 30.36 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mm -85.5 103.37 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.1 m -102.4 100.45 10.59 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.75 95.45 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -87.45 98.74 11.55 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.679 -0.638 . . . . 0.0 109.321 173.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -91.5 92.0 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.14 111.97 21.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 121.971 0.891 . . . . 0.0 110.833 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -88.55 -178.37 5.82 Favored 'General case' 0 CA--C 1.576 1.963 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.56 150.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -71.78 97.82 1.85 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 119.623 -1.923 . . . . 0.0 113.143 -166.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.81 41.65 97.43 Favored Glycine 0 CA--C 1.553 2.441 0 N-CA-C 117.847 1.899 . . . . 0.0 117.847 -162.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.8 94.97 1.6 Allowed 'General case' 0 CA--C 1.565 1.52 0 CA-C-N 118.822 1.311 . . . . 0.0 111.265 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mp0 -100.05 101.35 12.4 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 123.552 0.741 . . . . 0.0 111.257 -172.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mp -93.14 103.33 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -109.93 127.65 54.88 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -169.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -129.9 124.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.77 120.36 41.24 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 123.399 0.68 . . . . 0.0 111.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.4 mm -124.68 110.97 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.469 -0.769 . . . . 0.0 109.755 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -85.24 117.12 23.99 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.907 -1.12 . . . . 0.0 112.53 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.35 68.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-O 121.618 0.723 . . . . 0.0 112.175 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.429 ' OG ' ' OE2' ' A' ' 53' ' ' GLU . 40.0 t -109.85 85.54 2.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.696 -1.252 . . . . 0.0 109.997 169.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.348 1.8 t -152.37 -97.17 0.05 Allowed 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.462 -166.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.56 -117.88 0.89 Allowed Glycine 0 N--CA 1.491 2.361 0 CA-C-N 121.606 2.003 . . . . 0.0 114.376 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -81.0 70.86 7.92 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 122.265 1.031 . . . . 0.0 111.573 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -149.65 -54.71 0.17 Allowed 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 124.383 1.073 . . . . 0.0 110.388 -159.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -52.95 -32.91 48.5 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.367 2.358 . . . . 0.0 117.367 164.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -56.05 -50.58 70.56 Favored 'General case' 0 CA--C 1.576 1.954 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 164.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -62.77 -43.36 99.02 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 171.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.32 -52.09 66.76 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 166.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.07 -44.23 67.35 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 170.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -58.88 -52.24 66.59 Favored 'General case' 0 CA--C 1.574 1.889 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 169.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -62.96 -36.03 82.11 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.34 -41.27 80.96 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 171.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -48.79 -55.75 10.63 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 120.133 1.333 . . . . 0.0 114.536 161.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -53.39 -37.79 62.79 Favored 'General case' 0 CA--C 1.576 1.97 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 167.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.53 88.09 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 168.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.16 -43.84 82.92 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.379 1.622 . . . . 0.0 115.379 167.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.45 96.39 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 167.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -60.84 -42.23 97.37 Favored 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 166.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.4 -43.56 66.56 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.0 75.56 0.85 Allowed Glycine 0 N--CA 1.492 2.406 0 CA-C-N 119.83 1.196 . . . . 0.0 114.319 -172.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.43 137.56 32.6 Favored 'General case' 0 CA--C 1.56 1.357 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -167.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -89.16 -48.92 7.05 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -130.81 121.17 24.86 Favored 'General case' 0 CA--C 1.563 1.474 0 CA-C-N 119.095 0.861 . . . . 0.0 109.429 168.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.27 106.05 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 175.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -91.55 90.24 7.53 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 121.346 0.594 . . . . 0.0 109.428 168.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 tt -89.66 120.86 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 172.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 m -112.43 110.55 20.81 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 173.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 tt -97.72 105.71 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.438 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -81.19 85.44 6.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.452 -0.78 . . . . 0.0 111.72 -176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.53 149.88 26.33 Favored 'General case' 0 CA--C 1.563 1.452 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.429 ' OE2' ' OG ' ' A' ' 22' ' ' SER . 8.0 pt-20 -88.95 -22.81 22.87 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 -174.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -136.54 159.98 40.17 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 120.035 1.289 . . . . 0.0 110.932 173.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -56.84 -48.98 76.81 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -60.88 -47.51 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 173.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -59.45 -42.82 92.85 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.79 -47.14 71.07 Favored 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 164.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.43 -47.44 81.79 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 168.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.12 -49.87 75.47 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.35 -39.84 94.68 Favored 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.9 tp -46.82 -56.42 6.3 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 160.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.52 -46.8 88.83 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 173.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.46 -50.44 69.87 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 115.811 1.782 . . . . 0.0 115.811 171.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.4 mt -60.91 -49.76 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-N 119.463 1.029 . . . . 0.0 112.87 171.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.63 83.17 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 116.943 2.201 . . . . 0.0 116.943 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 50.9 mmt-85 -64.22 -43.54 94.66 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-N 120.97 1.714 . . . . 0.0 114.927 164.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.44 -53.41 51.77 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 171.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -29.73 61.73 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -62.0 -47.6 84.05 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-N 120.485 1.493 . . . . 0.0 114.502 161.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -52.16 -46.53 65.52 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 166.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.3 5.97 15.63 Favored 'General case' 0 CA--C 1.578 2.046 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 176.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.36 42.76 11.3 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -119.2 96.32 5.17 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.2 1.0 . . . . 0.0 108.562 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -83.73 -40.82 18.37 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 118.819 2.896 . . . . 0.0 118.819 -163.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -84.73 89.1 7.43 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 120.59 1.541 . . . . 0.0 110.609 -177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -99.03 104.41 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -166.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -111.11 101.11 9.66 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.488 0.661 . . . . 0.0 109.933 -170.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.8 p -95.62 131.66 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.692 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -126.5 118.57 25.18 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.537 -0.727 . . . . 0.0 109.29 160.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.2 t -91.26 115.58 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -86.55 75.47 9.72 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.191 -0.943 . . . . 0.0 111.126 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.2 -84.17 0.61 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.369 -0.832 . . . . 0.0 114.239 -169.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.5 p -105.72 -23.41 12.74 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 167.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -82.05 115.29 21.12 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 120.415 1.461 . . . . 0.0 111.33 -167.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -91.79 105.38 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 O-C-N 121.109 -0.994 . . . . 0.0 109.11 -169.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -93.28 93.07 8.01 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 123.065 0.546 . . . . 0.0 110.645 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.4 mt -91.42 113.8 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.846 0.831 . . . . 0.0 108.771 176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -103.38 104.07 14.13 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.99 0.916 . . . . 0.0 110.018 174.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 29.5 m -103.11 114.97 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 CA-C-O 121.398 0.618 . . . . 0.0 110.969 -177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -106.47 132.59 52.31 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 123.453 0.701 . . . . 0.0 111.059 -173.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 178.42 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 119.555 -0.26 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -83.57 130.63 35.0 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 119.026 0.83 . . . . 0.0 112.069 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.7 -72.95 0.64 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.621 -0.674 . . . . 0.0 109.47 163.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.3 t -133.06 95.7 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.03 112.16 19.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.515 -0.741 . . . . 0.0 110.299 174.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.0 mt -96.93 84.44 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.631 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -175.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -100.16 106.27 17.96 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.94 0.876 . . . . 0.0 108.93 -173.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.9 mm -116.04 100.11 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -167.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -98.3 103.65 15.62 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 122.236 1.017 . . . . 0.0 110.211 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt -87.51 94.86 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -78.31 98.55 5.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 122.492 1.139 . . . . 0.0 109.698 168.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.73 72.89 1.14 Allowed 'General case' 0 CA--C 1.567 1.628 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.468 -168.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.279 5.9 m-20 52.7 61.9 2.96 Favored 'General case' 0 N--CA 1.506 2.355 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.71 31.83 14.62 Favored Glycine 0 CA--C 1.553 2.435 0 N-CA-C 118.761 2.264 . . . . 0.0 118.761 -169.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -162.39 106.85 1.17 Allowed 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 119.686 1.743 . . . . 0.0 110.484 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . 0.256 1.9 pm0 -84.02 118.88 24.34 Favored 'General case' 0 N--CA 1.497 1.897 0 CA-C-N 119.596 1.089 . . . . 0.0 113.211 170.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.66 101.75 13.01 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.714 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -78.67 121.87 25.24 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.295 1.045 . . . . 0.0 113.581 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -112.65 100.62 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -103.3 77.89 1.56 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 122.919 1.342 . . . . 0.0 112.945 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 pt -99.22 81.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 CA-C-O 122.159 0.981 . . . . 0.0 110.653 -171.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 127.39 33.02 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -120.43 157.02 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 121.898 0.856 . . . . 0.0 112.841 -162.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.3 t -89.27 18.39 5.18 Favored 'General case' 0 CA--C 1.579 2.076 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 164.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.433 42.0 p 75.41 -121.4 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 125.382 1.473 . . . . 0.0 112.088 -174.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 35.82 60.26 0.83 Allowed Glycine 0 N--CA 1.502 3.08 0 N-CA-C 121.802 3.481 . . . . 0.0 121.802 173.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.324 57.5 mttm 64.62 -9.43 0.18 Allowed 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.291 3.071 . . . . 0.0 119.291 -168.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.36 -44.61 94.31 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-N 120.903 1.683 . . . . 0.0 114.26 165.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.41 -41.62 72.98 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.02 -53.84 53.48 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 167.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -52.95 -52.04 59.33 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 168.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.13 32.74 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 175.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.5 tp -53.6 -44.75 69.69 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.09 -49.2 73.21 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -72.63 -36.42 68.02 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.37 -43.5 88.45 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 167.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -49.87 -50.69 44.81 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 162.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -60.56 -52.0 67.03 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.48 -41.92 99.12 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.7 mt -57.51 -48.72 78.5 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.429 1.64 . . . . 0.0 115.429 170.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.45 -44.98 85.54 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 170.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -69.45 -42.97 74.23 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.12 -31.3 70.8 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.83 72.7 1.05 Allowed Glycine 0 N--CA 1.488 2.159 0 CA-C-N 119.729 1.15 . . . . 0.0 114.427 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.43 120.56 35.89 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -58.07 3.5 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 178.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.02 114.8 29.22 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.27 96.43 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -86.51 90.17 8.14 Favored 'General case' 0 CA--C 1.565 1.538 0 C-N-CA 123.381 0.673 . . . . 0.0 110.486 176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.3 mt -91.71 105.79 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.9 m -112.89 107.63 16.28 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.0 105.27 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -92.28 101.69 14.18 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.728 0.775 . . . . 0.0 111.646 -174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.17 160.88 13.95 Favored 'General case' 0 CA--C 1.564 1.485 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -170.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -61.86 -50.88 70.49 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 172.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -130.5 161.63 31.03 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 123.152 1.453 . . . . 0.0 110.66 -172.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -58.13 -38.78 77.19 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 170.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -54.66 -50.07 69.08 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 166.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -55.86 -52.07 65.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 165.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.72 -41.08 66.65 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.543 2.424 . . . . 0.0 117.543 172.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -59.29 -55.64 32.25 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 170.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.37 -41.6 89.69 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.0 mt -61.53 -48.76 79.58 Favored 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 170.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.9 tp -44.7 -53.22 7.52 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 162.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.21 -46.41 89.04 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -56.19 -48.87 75.52 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 169.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 mt -61.65 -52.31 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 CA-C-N 119.538 1.063 . . . . 0.0 112.891 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.23 -46.17 69.01 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 171.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.2 -45.44 87.58 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 166.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -56.61 -52.05 66.35 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 169.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.81 -33.77 62.27 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -56.29 -45.81 80.05 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 157.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.42 -46.77 88.73 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 170.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.9 mt -61.06 -45.37 95.05 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.99 56.73 0.25 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 115.828 1.091 . . . . 0.0 115.828 173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -112.38 148.26 34.67 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.566 0.698 . . . . 0.0 111.357 -178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -119.02 -46.33 2.53 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -84.32 84.43 7.63 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 120.584 1.538 . . . . 0.0 110.065 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.8 mt -100.73 105.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 -167.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -108.54 91.64 3.73 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.704 0.764 . . . . 0.0 109.645 -170.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.97 123.87 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.626 0 C-N-CA 123.714 0.806 . . . . 0.0 112.16 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -140.0 91.27 2.45 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.66 120.69 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.715 0 O-C-N 121.207 -0.933 . . . . 0.0 112.021 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -92.34 70.75 5.19 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.304 -0.873 . . . . 0.0 110.635 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.47 -81.75 0.6 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 120.794 -1.192 . . . . 0.0 114.401 -168.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.8 p -112.72 -2.99 14.33 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.918 1.821 . . . . 0.0 115.918 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -86.15 97.08 10.13 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 120.41 1.459 . . . . 0.0 110.502 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.3 84.87 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.367 -0.833 . . . . 0.0 109.57 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -81.83 104.63 12.35 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.868 -0.52 . . . . 0.0 110.131 170.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.1 mt -106.99 103.05 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 165.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -93.82 109.78 21.45 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 122.772 0.429 . . . . 0.0 110.116 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.8 m -104.94 131.09 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 121.485 0.66 . . . . 0.0 111.272 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -111.19 140.16 45.98 Favored 'General case' 0 CA--C 1.563 1.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 122.848 1.308 . . . . 0.0 108.975 174.041 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 49.5 m80 . . . . . 0 CA--C 1.56 1.343 0 CA-C-O 122.228 1.013 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 32.5 ttm -85.31 124.08 31.51 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 123.887 0.875 . . . . 0.0 110.998 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.29 86.0 mttt -81.96 -78.75 0.19 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -163.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 t -130.76 70.3 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 119.688 1.131 . . . . 0.0 108.482 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.4 99.49 10.12 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -171.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.6 pt -94.49 102.05 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 C-N-CA 124.053 0.941 . . . . 0.0 109.777 -174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -85.08 98.83 10.66 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.807 0.843 . . . . 0.0 109.301 172.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -109.74 97.52 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -173.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -107.54 110.97 23.02 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 121.697 0.761 . . . . 0.0 109.349 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.22 102.67 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -168.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -80.98 105.27 12.08 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.579 -0.7 . . . . 0.0 112.448 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -93.64 71.35 4.24 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.258 0.8 OUTLIER 50.22 88.93 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 125.618 1.567 . . . . 0.0 114.798 -168.462 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.36 -44.96 3.14 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 117.539 1.776 . . . . 0.0 117.539 -167.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -81.44 92.65 6.49 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 124.052 0.941 . . . . 0.0 112.634 -169.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -68.9 94.34 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 123.423 0.689 . . . . 0.0 111.514 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.8 mm -88.08 105.56 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -101.23 112.45 24.94 Favored 'General case' 0 CA--C 1.556 1.175 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -164.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 mp -104.31 89.24 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.621 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.47 97.59 7.41 Favored 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 123.347 0.659 . . . . 0.0 109.415 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 pt -138.66 148.84 24.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 CA-C-O 121.7 0.762 . . . . 0.0 112.413 -163.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -94.12 103.13 15.19 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.108 -0.995 . . . . 0.0 110.845 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 m -98.13 54.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.251 0 CA-C-O 121.536 0.684 . . . . 0.0 112.442 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.0 p -90.53 76.55 6.58 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.377 -1.452 . . . . 0.0 112.039 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.6 t -166.1 114.78 0.94 Allowed 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -166.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.65 139.98 39.99 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 116.396 1.318 . . . . 0.0 116.396 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.327 0.0 OUTLIER 70.94 -53.17 0.68 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -170.248 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -48.82 -42.72 37.03 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.269 1.4 pt? -56.27 -34.59 66.58 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.437 2.384 . . . . 0.0 117.437 172.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -63.94 -44.52 92.59 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 166.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -55.41 -45.01 76.71 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 167.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.09 79.07 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 165.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.8 tp -49.63 -45.02 47.84 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 169.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.83 -48.59 79.86 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 172.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.06 -41.68 98.39 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 167.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.6 mt -62.1 -45.08 95.09 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 172.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -54.69 -49.36 70.87 Favored 'General case' 0 CA--C 1.576 1.968 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 166.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -59.72 -43.27 94.23 Favored 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 169.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.65 71.0 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.29 -36.92 76.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 161.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -42.33 69.81 Favored 'General case' 0 CA--C 1.567 1.628 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 163.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -73.13 65.82 0.82 Allowed 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 120.929 1.695 . . . . 0.0 112.98 167.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.76 -63.65 0.09 Allowed 'General case' 0 CA--C 1.558 1.252 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -170.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.32 76.62 0.65 Allowed Glycine 0 N--CA 1.492 2.423 0 CA-C-N 119.247 0.93 . . . . 0.0 113.601 -164.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -115.29 143.05 45.85 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -165.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -102.79 -56.08 2.31 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.41 171.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -101.53 113.69 27.03 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 120.574 1.534 . . . . 0.0 110.167 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.26 98.94 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.01 109.94 18.86 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.394 0.616 . . . . 0.0 112.512 -171.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mp -106.43 109.61 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 -177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -106.84 110.37 22.52 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 118.304 0.502 . . . . 0.0 110.176 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.0 112.92 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.574 176.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -91.89 120.68 32.8 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.114 0.565 . . . . 0.0 112.013 174.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.63 171.84 7.91 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.91 -46.36 36.41 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.569 -1.332 . . . . 0.0 114.235 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -125.33 173.08 9.08 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 124.663 1.185 . . . . 0.0 110.079 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.03 -47.65 84.45 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 170.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.72 -39.7 85.53 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -177.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -54.66 -51.43 65.49 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 166.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.91 90.49 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 169.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -61.46 -41.61 97.49 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -66.9 -45.21 78.68 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 167.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.8 -34.94 78.33 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 172.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.97 -51.36 30.9 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 160.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.74 -54.14 50.44 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 119.206 0.912 . . . . 0.0 113.339 168.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.37 -49.77 71.44 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.2 mt -66.16 -50.2 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 CA-C-N 119.869 1.213 . . . . 0.0 112.274 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.11 -48.53 76.01 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -49.22 -43.83 42.9 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 117.154 2.279 . . . . 0.0 117.154 164.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.36 -52.03 66.36 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 167.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.88 -38.32 79.59 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -38.12 88.37 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 164.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -57.32 -40.88 78.85 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 164.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.45 -52.91 63.19 Favored 'General case' 0 N--CA 1.499 2.003 0 CA-C-N 120.15 1.341 . . . . 0.0 114.546 161.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.59 0.55 Allowed Glycine 0 N--CA 1.486 1.981 0 N-CA-C 116.619 1.407 . . . . 0.0 116.619 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -82.3 131.53 35.23 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 118.697 1.249 . . . . 0.0 111.281 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -90.67 -42.56 10.67 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.22 125.11 29.03 Favored 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 119.556 1.071 . . . . 0.0 110.216 166.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.0 mt -135.04 94.73 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.78 117.9 35.82 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.597 0.759 . . . . 0.0 110.405 177.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.46 112.3 39.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.277 -0.89 . . . . 0.0 108.771 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.7 ttt85 -111.93 114.29 27.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.64 -0.662 . . . . 0.0 109.72 171.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.7 t -100.36 104.51 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -90.9 78.21 6.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.236 -0.915 . . . . 0.0 110.668 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.83 -94.04 0.96 Allowed Glycine 0 N--CA 1.493 2.474 0 O-C-N 121.481 -0.762 . . . . 0.0 113.937 -172.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . 0.262 8.9 t -125.75 49.6 1.93 Allowed 'General case' 0 N--CA 1.501 2.078 0 CA-C-O 122.738 1.256 . . . . 0.0 112.415 163.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -127.66 101.47 6.41 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.48 101.43 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -86.39 108.1 18.32 Favored 'General case' 0 CA--C 1.559 1.297 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 165.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.0 mt -98.33 103.15 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.698 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 165.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.56 105.75 16.75 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 125.091 1.356 . . . . 0.0 109.071 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.9 142.4 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.55 -0.719 . . . . 0.0 111.588 -176.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -123.85 153.91 40.39 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.574 1.178 . . . . 0.0 110.287 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.4 t . . . . . 0 N--CA 1.495 1.795 0 O-C-N 120.898 -1.126 . . . . 0.0 110.33 -169.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 . . . . . 0 CA--C 1.561 1.382 0 CA-C-O 121.822 0.82 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.1 ttm -77.51 111.35 13.14 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 123.595 0.758 . . . . 0.0 110.552 172.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tpmp? -147.86 139.12 23.54 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -168.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -77.19 90.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 164.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -129.09 114.09 15.93 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -166.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.256 45.2 pt -115.24 100.66 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 CA-C-O 121.622 0.725 . . . . 0.0 109.127 -162.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.2 m -104.72 93.63 4.85 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.26 99.56 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.306 13.6 ptmm? -105.77 114.05 27.98 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 122.815 1.293 . . . . 0.0 111.472 -171.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.2 mt -107.0 104.48 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -158.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -102.12 134.02 46.04 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-O 122.568 1.175 . . . . 0.0 111.821 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.3 mtp85 -104.32 49.86 0.81 Allowed 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.67 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.296 16.2 m-20 42.55 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -163.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.91 -74.09 0.34 Allowed Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.935 -0.478 . . . . 0.0 113.404 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.84 122.5 26.16 Favored 'General case' 0 N--CA 1.495 1.779 0 CA-C-N 117.442 0.621 . . . . 0.0 111.82 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -125.33 107.95 11.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 123.83 0.852 . . . . 0.0 110.358 -159.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -112.49 103.65 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.223 -0.923 . . . . 0.0 109.078 -166.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.42 114.23 21.75 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -106.79 101.37 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -106.14 95.51 5.83 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-O 121.565 0.698 . . . . 0.0 112.236 -164.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.7 mm -121.56 148.33 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 C-N-CA 124.385 1.074 . . . . 0.0 109.811 -166.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.17 139.96 48.57 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 119.5 -2.0 . . . . 0.0 111.039 -178.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.88 76.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 CA-C-O 121.687 0.756 . . . . 0.0 110.278 -166.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -82.64 41.41 0.72 Allowed 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -168.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.6 t -176.78 152.09 0.94 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.904 -1.123 . . . . 0.0 111.232 -152.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 138.27 35.56 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.092 1.197 . . . . 0.0 116.092 173.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.476 57.4 mttm 72.59 -20.35 0.27 Allowed 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 119.93 3.307 . . . . 0.0 119.93 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -63.55 -48.12 78.8 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 121.109 1.777 . . . . 0.0 113.495 154.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 56.8 tp -53.28 -46.08 69.16 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 168.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -56.89 -54.63 44.28 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.1 mtm105 -61.87 -44.42 96.85 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.67 72.59 Favored 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -53.87 -46.75 71.41 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 169.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.22 -50.82 72.2 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -70.42 -36.08 73.81 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 mt -60.14 -43.09 95.98 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 121.229 1.832 . . . . 0.0 115.174 168.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -50.42 -53.37 29.99 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 162.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -49.81 74.75 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 170.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.99 99.57 Favored 'General case' 0 CA--C 1.562 1.413 0 N-CA-C 116.801 2.148 . . . . 0.0 116.801 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.8 -46.91 87.48 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 168.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.17 -43.57 78.5 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 116.828 2.158 . . . . 0.0 116.828 167.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -60.71 -47.32 86.8 Favored 'General case' 0 CA--C 1.569 1.685 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 168.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.01 -43.35 62.22 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 116.77 2.137 . . . . 0.0 116.77 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.53 72.05 1.06 Allowed Glycine 0 N--CA 1.49 2.265 0 CA-C-N 120.123 1.329 . . . . 0.0 115.337 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.34 143.67 33.19 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -96.27 -19.42 19.29 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 117.616 2.45 . . . . 0.0 117.616 -169.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -136.78 109.1 7.3 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.833 2.106 . . . . 0.0 110.021 161.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -111.85 111.55 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.385 -0.822 . . . . 0.0 108.945 -165.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -101.18 98.36 8.78 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 123.311 0.645 . . . . 0.0 110.589 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -89.94 110.29 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -98.06 126.85 43.69 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.9 mm -124.45 111.28 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 170.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.2 t -73.53 123.69 24.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.943 -1.098 . . . . 0.0 110.945 162.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.4 145.13 25.37 Favored 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.98 -20.05 56.55 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 172.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -140.44 167.89 21.08 Favored 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 119.979 1.263 . . . . 0.0 110.572 165.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -63.3 -40.59 97.76 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 168.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.14 -40.92 82.53 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 164.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -56.84 -47.2 80.88 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 162.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -39.29 65.04 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 170.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -57.68 -54.1 50.72 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 166.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.99 -41.54 90.94 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.54 -40.46 94.74 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 169.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 tp -50.67 -50.23 55.25 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 162.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -62.14 -43.28 99.17 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 167.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 mt -55.21 -37.76 67.55 Favored 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 121.786 2.084 . . . . 0.0 116.088 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.86 -58.97 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 CA-C-N 119.928 1.24 . . . . 0.0 111.614 165.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.15 71.04 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 117.15 2.278 . . . . 0.0 117.15 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -67.87 -35.79 79.13 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 169.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.97 -52.46 60.6 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 121.572 1.987 . . . . 0.0 114.985 160.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD22 HG11 ' A' ' 90' ' ' VAL . 77.6 mt -59.94 -44.79 94.14 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 115.281 1.585 . . . . 0.0 115.281 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -62.05 -42.92 99.69 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 165.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -48.2 80.35 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.96 -37.51 85.0 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 165.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.55 43.95 3.82 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -76.12 143.16 41.4 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.388 1.094 . . . . 0.0 111.914 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -56.37 3.08 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.18 85.62 3.25 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 121.347 0.594 . . . . 0.0 109.702 -163.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.2 mt -105.02 111.18 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 -164.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -112.21 119.55 38.73 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 123.917 0.887 . . . . 0.0 110.484 -171.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.08 132.31 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -134.83 89.98 2.59 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.433 -0.792 . . . . 0.0 109.13 166.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.1 t -94.58 99.8 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.2 73.48 2.19 Favored 'General case' 0 CA--C 1.568 1.644 0 CA-C-O 121.549 0.69 . . . . 0.0 109.72 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.27 -99.35 0.63 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -173.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 76.6 p -92.82 -19.96 21.2 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 171.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.68 105.22 6.6 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 120.032 1.287 . . . . 0.0 110.952 171.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.69 97.56 6.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -114.49 105.23 12.85 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.044 0.538 . . . . 0.0 110.234 -171.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -112.51 112.14 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -169.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -91.8 123.9 35.53 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.22 0.608 . . . . 0.0 110.127 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG11 HD22 ' A' ' 69' ' ' LEU . 35.6 m -118.21 124.2 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.606 -0.684 . . . . 0.0 112.208 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.4 mtt-85 -95.26 147.48 23.43 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.36 1.076 . . . . 0.0 113.076 173.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 174.625 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 CA--C 1.559 1.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.4 mtt -72.72 120.07 17.83 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.717 -0.614 . . . . 0.0 111.303 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.25 -67.99 0.6 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 123.935 0.894 . . . . 0.0 111.958 -170.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.5 t -122.78 73.87 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.26 98.84 10.05 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.525 0.679 . . . . 0.0 110.214 -166.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -83.19 103.75 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.667 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.8 m -101.09 103.79 14.89 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -109.92 127.91 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.343 14.3 ptpt -125.81 131.53 52.43 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.286 1.041 . . . . 0.0 113.706 160.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.0 mt -110.62 89.55 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -163.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . 0.283 0.1 OUTLIER -87.74 121.1 29.75 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 119.522 1.056 . . . . 0.0 110.958 178.372 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -120.01 -134.63 0.32 Allowed 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 124.237 1.015 . . . . 0.0 110.782 -169.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.77 90.62 1.87 Allowed 'General case' 0 CA--C 1.572 1.802 0 O-C-N 120.959 -1.088 . . . . 0.0 111.071 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.87 27.09 63.88 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 120.515 2.966 . . . . 0.0 120.515 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -163.5 132.99 4.09 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-N 119.299 1.55 . . . . 0.0 110.065 -161.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -122.05 132.34 54.45 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.75 112.67 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.24 128.73 53.57 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.8 mm -136.83 112.82 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -170.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.85 126.33 52.05 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.356 0.98 . . . . 0.0 111.068 164.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.91 116.44 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.341 -0.849 . . . . 0.0 109.657 -172.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.43 103.56 15.47 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.341 0.656 . . . . 0.0 112.444 -176.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.2 m -116.43 78.56 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 CA-C-O 121.558 0.694 . . . . 0.0 110.058 -170.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -71.06 86.76 0.74 Allowed 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -153.13 141.41 20.57 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.178 -154.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.28 -61.82 2.56 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 115.569 0.988 . . . . 0.0 115.569 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.61 3.77 10.66 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.261 24.4 mm-40 -84.61 -17.75 37.71 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.541 1.973 . . . . 0.0 116.128 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -52.92 -30.09 32.31 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 118.011 2.597 . . . . 0.0 118.011 158.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -41.06 -49.16 3.38 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 164.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HD2' ' H ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -67.21 -49.46 64.48 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.91 81.14 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 167.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.1 tp -56.78 -42.33 79.23 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -68.07 -38.65 82.65 Favored 'General case' 0 CA--C 1.568 1.652 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 167.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -58.43 -43.59 88.78 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-N 120.741 1.61 . . . . 0.0 115.296 165.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.04 -42.33 98.28 Favored 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 165.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -54.03 51.41 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 168.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -43.35 -53.11 5.5 Favored 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 163.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.59 81.05 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.6 tp -58.37 -50.88 72.06 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.05 -42.82 86.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 116.711 2.115 . . . . 0.0 116.711 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -68.54 -34.52 75.99 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 169.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.53 -51.95 20.81 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 174.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.69 76.51 0.73 Allowed Glycine 0 N--CA 1.493 2.47 0 CA-C-N 119.831 1.196 . . . . 0.0 115.424 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.3 155.34 24.23 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -167.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtp-105 -75.83 -72.49 0.31 Allowed 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -118.83 98.41 6.19 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 -172.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.43 111.07 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 -169.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -83.3 98.35 9.38 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 122.758 0.423 . . . . 0.0 110.252 173.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.501 HD12 HD21 ' A' ' 69' ' ' LEU . 42.1 mt -91.76 110.61 22.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 167.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.5 m -116.24 144.52 44.1 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.69 0.796 . . . . 0.0 110.032 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.13 118.06 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.351 -0.843 . . . . 0.0 108.92 162.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.3 t -81.57 94.77 6.97 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.936 -0.477 . . . . 0.0 110.759 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.43 165.24 15.05 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.52 -44.36 74.8 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -133.21 160.76 36.31 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.123 0.963 . . . . 0.0 111.536 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -58.83 -43.48 90.68 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 169.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.36 -41.42 93.64 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 168.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.14 -49.72 75.04 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 163.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.7 -29.83 40.85 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 168.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -59.49 4.44 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.017 1.735 . . . . 0.0 113.705 171.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -68.71 -27.31 65.83 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 171.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.5 mt -65.57 -39.03 91.19 Favored 'General case' 0 CA--C 1.574 1.871 0 CA-C-N 121.613 2.006 . . . . 0.0 115.397 163.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 tt -50.12 -58.21 6.04 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 162.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.71 -44.37 96.67 Favored 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 170.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 tp -52.48 -45.96 66.35 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 122.463 2.392 . . . . 0.0 115.964 170.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.73 -53.86 37.07 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.077 0 CA-C-O 117.61 -1.186 . . . . 0.0 111.736 168.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.11 -45.72 68.39 Favored 'General case' 0 CA--C 1.578 2.037 0 CA-C-N 122.129 2.24 . . . . 0.0 117.045 174.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -51.44 -46.62 63.05 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 166.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.64 -55.0 40.49 Favored 'General case' 0 CA--C 1.575 1.905 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 167.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.618 HD22 HG11 ' A' ' 90' ' ' VAL . 66.4 mt -56.84 -41.16 77.38 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -59.26 -40.89 87.46 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.66 -40.5 97.24 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 168.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.62 -41.94 77.96 Favored 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 165.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.98 39.46 3.55 Favored Glycine 0 N--CA 1.493 2.482 0 N-CA-C 116.959 1.543 . . . . 0.0 116.959 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -93.17 146.19 23.85 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 121.744 0.783 . . . . 0.0 111.607 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.98 -51.12 3.1 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -86.92 93.46 9.33 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 120.263 1.392 . . . . 0.0 108.588 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -88.81 87.0 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -94.37 87.97 5.37 Favored 'General case' 0 CA--C 1.567 1.624 0 CA-C-O 122.046 0.926 . . . . 0.0 110.74 -163.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.13 121.86 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 C-N-CA 123.531 0.732 . . . . 0.0 111.467 -164.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -128.46 99.42 5.39 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 63.0 t -91.41 103.46 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.125 -0.984 . . . . 0.0 108.796 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -99.39 82.62 2.7 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 121.701 0.762 . . . . 0.0 109.959 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.32 -104.64 1.47 Allowed Glycine 0 N--CA 1.49 2.266 0 O-C-N 121.645 -0.659 . . . . 0.0 113.84 -171.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.1 p -104.18 -0.95 27.88 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -67.27 114.55 6.07 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.246 1.839 . . . . 0.0 111.267 162.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -93.84 75.08 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.734 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -91.12 96.99 10.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.857 -1.152 . . . . 0.0 111.192 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 70.8 mt -106.71 106.37 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 -174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -85.22 110.59 19.15 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 170.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.618 HG11 HD22 ' A' ' 69' ' ' LEU . 18.3 m -96.61 137.91 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.4 -0.813 . . . . 0.0 113.156 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -128.4 140.19 51.98 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.511 0.672 . . . . 0.0 110.598 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.0 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 120.946 -1.096 . . . . 0.0 109.237 -171.247 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 37.9 mmt -76.78 149.97 36.22 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 119.706 1.139 . . . . 0.0 113.153 175.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.55 -177.38 5.9 Favored 'General case' 0 CA--C 1.575 1.925 0 O-C-N 121.11 -0.994 . . . . 0.0 111.995 171.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 50' ' ' ILE . 23.4 t -70.99 95.86 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 120.706 -1.246 . . . . 0.0 110.529 175.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -88.29 84.47 6.86 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.55 0.69 . . . . 0.0 109.609 170.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.85 111.58 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.9 p -110.91 114.58 28.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -172.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.9 mp -104.44 98.26 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -90.09 101.92 14.63 Favored 'General case' 0 CA--C 1.566 1.594 0 O-C-N 121.844 -0.535 . . . . 0.0 109.565 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 56.5 mt -99.62 107.67 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -98.7 118.51 35.59 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.423 -0.798 . . . . 0.0 111.308 -172.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.1 82.32 1.75 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 25.92 64.19 0.07 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.84 -54.16 0.73 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -163.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -80.25 101.3 8.8 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 118.275 1.038 . . . . 0.0 111.943 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.75 104.37 16.07 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 123.378 0.671 . . . . 0.0 110.775 176.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.5 mm -101.06 99.38 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -174.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -89.9 116.28 27.85 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 123.069 0.548 . . . . 0.0 112.001 -175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -125.52 110.82 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.63 147.55 27.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.044 -1.035 . . . . 0.0 112.084 160.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 43.4 pt -126.13 97.8 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 148.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -79.6 95.8 5.98 Favored 'General case' 0 CA--C 1.569 1.7 0 CA-C-O 121.847 0.832 . . . . 0.0 112.829 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -116.96 128.46 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.529 -0.732 . . . . 0.0 110.487 -158.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.4 p -113.52 72.76 0.79 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.285 -0.885 . . . . 0.0 112.743 171.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.3 p -155.23 147.61 23.93 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.906 -0.496 . . . . 0.0 111.463 -165.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.66 -97.33 0.09 OUTLIER Glycine 0 N--CA 1.492 2.389 0 N-CA-C 115.916 1.126 . . . . 0.0 115.916 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -76.38 -10.63 59.55 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.2 -35.75 79.82 Favored 'General case' 0 CA--C 1.575 1.916 0 O-C-N 120.406 -1.434 . . . . 0.0 114.825 160.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.74 -43.79 98.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 166.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.84 -52.13 51.6 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 164.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -64.14 -41.56 97.14 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.303 1.964 . . . . 0.0 116.303 173.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.66 97.36 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 169.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.14 -42.79 91.51 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 166.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.29 -44.34 75.6 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.276 1.954 . . . . 0.0 116.276 165.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -66.82 -40.36 88.01 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.764 1.765 . . . . 0.0 115.764 167.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.93 -43.18 81.21 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 166.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -55.28 20.97 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 164.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.16 -50.09 62.48 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 168.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.01 87.9 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 172.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.5 mt -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 168.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.08 92.72 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -65.15 -39.04 92.42 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 166.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.89 6.49 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.82 64.65 2.63 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 117.01 1.564 . . . . 0.0 117.01 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.87 149.87 22.47 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.42 -55.63 16.97 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -113.16 126.53 55.54 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -126.72 114.85 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.293 10.5 pt20 -112.47 94.39 4.9 Favored 'General case' 0 CA--C 1.564 1.483 0 CA-C-O 122.126 0.965 . . . . 0.0 111.033 -175.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mp -92.16 127.22 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 123.881 0.873 . . . . 0.0 108.682 -167.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.4 m -127.18 117.76 22.98 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 119.452 1.024 . . . . 0.0 109.456 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -111.17 113.52 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 123.298 0.639 . . . . 0.0 110.297 176.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.2 t -76.28 95.34 3.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.567 166.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.6 151.53 23.37 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -70.98 -43.5 67.92 Favored 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -126.93 156.05 42.12 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 124.086 0.954 . . . . 0.0 111.214 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -58.58 -43.01 89.32 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 117.322 2.342 . . . . 0.0 117.322 173.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.62 -40.0 93.27 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 167.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -60.82 -43.82 97.71 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 166.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -44.78 69.75 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 116.763 2.134 . . . . 0.0 116.763 165.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -54.44 -54.88 34.91 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -55.56 -49.12 73.53 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.89 -39.26 91.34 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 172.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.1 tp -52.98 -55.44 23.53 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 165.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.19 -44.39 95.12 Favored 'General case' 0 CA--C 1.573 1.841 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 170.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.6 tp -66.28 -46.61 76.41 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 116.096 1.887 . . . . 0.0 116.096 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.4 -44.93 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 CA-C-N 120.193 1.361 . . . . 0.0 112.013 169.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.77 -46.48 74.39 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 169.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -55.63 -43.52 76.26 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 167.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.53 -52.9 63.01 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 167.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.03 -34.93 78.78 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -58.01 -47.95 81.5 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 159.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -45.71 84.13 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 169.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.68 -43.86 80.86 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 165.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.74 39.64 2.15 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -92.75 121.3 34.01 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.474 1.137 . . . . 0.0 110.458 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -82.55 -48.59 10.83 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -172.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -89.99 107.66 19.25 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-N 119.827 1.194 . . . . 0.0 109.218 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.1 mt -116.26 95.95 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -169.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -91.51 109.0 20.28 Favored 'General case' 0 CA--C 1.566 1.595 0 O-C-N 121.371 -0.831 . . . . 0.0 110.706 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.2 t -86.45 113.25 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.456 -0.778 . . . . 0.0 109.219 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.2 ttm-85 -123.73 76.25 1.41 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.423 0.689 . . . . 0.0 110.712 -174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -94.35 126.54 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 120.531 -1.356 . . . . 0.0 110.762 -168.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -106.42 84.94 2.1 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.41 0.624 . . . . 0.0 110.137 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.39 -101.95 1.04 Allowed Glycine 0 N--CA 1.492 2.428 0 O-C-N 121.362 -0.836 . . . . 0.0 114.965 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.0 p -97.56 -6.83 32.64 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -77.33 95.72 4.45 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 120.652 1.569 . . . . 0.0 110.192 171.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.42 103.65 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -98.71 122.38 41.87 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.434 169.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.3 mt -108.31 110.72 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 163.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -102.28 95.38 6.26 Favored 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 124.901 1.28 . . . . 0.0 109.079 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -96.75 141.16 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.264 -0.898 . . . . 0.0 112.826 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.82 143.71 50.93 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 123.481 1.61 . . . . 0.0 108.433 172.38 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 61.8 mtt -102.16 158.29 16.28 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.977 0.894 . . . . 0.0 111.896 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -124.14 -166.35 1.48 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.218 -0.926 . . . . 0.0 111.104 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -75.97 116.17 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 120.2 -1.563 . . . . 0.0 110.906 -167.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.79 114.18 26.66 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.66 0.784 . . . . 0.0 110.444 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mm -98.03 103.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 164.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -106.14 105.1 14.97 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 119.635 1.107 . . . . 0.0 109.41 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.61 108.87 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -170.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -92.84 104.09 16.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.649 -0.657 . . . . 0.0 109.893 170.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.86 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -95.91 86.71 4.41 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.299 1.047 . . . . 0.0 109.96 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -73.44 -47.83 38.46 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -177.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -130.48 -132.54 0.21 Allowed 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 107.413 -1.328 . . . . 0.0 107.413 157.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.09 42.42 1.16 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 118.052 1.981 . . . . 0.0 118.052 173.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -146.95 102.67 3.55 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.95 119.58 33.04 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 174.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 mp -101.41 107.82 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.48 121.63 27.01 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 122.106 0.955 . . . . 0.0 113.181 173.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -117.37 106.36 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.265 25.7 p-10 -106.41 93.21 4.48 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 122.731 1.253 . . . . 0.0 113.061 -176.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.6 mt -93.39 109.36 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 C-N-CA 124.219 1.008 . . . . 0.0 108.473 -170.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -106.45 127.36 53.23 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.808 -0.558 . . . . 0.0 110.701 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.354 60.4 t 88.11 100.0 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 C-N-CA 124.766 1.227 . . . . 0.0 108.168 -162.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.4 m -157.05 88.49 1.03 Allowed 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 173.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.27 7.5 t -106.63 -64.5 1.17 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -166.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.86 -87.28 0.33 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-N 119.997 1.271 . . . . 0.0 112.784 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -59.66 -43.09 94.07 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 167.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.46 -32.53 74.0 Favored 'General case' 0 CA--C 1.575 1.935 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 167.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.88 -45.61 89.8 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 161.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.06 -45.78 82.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 167.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.5 mtt-85 -53.41 -54.36 37.98 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 169.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.14 -57.27 13.77 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 172.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.67 -42.8 89.3 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -73.13 -41.16 64.28 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -58.99 -44.28 91.6 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 121.163 1.801 . . . . 0.0 114.818 168.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.2 mt -57.15 -51.76 68.01 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 167.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.36 -42.39 98.62 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 173.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -58.29 -49.62 76.49 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 115.383 1.624 . . . . 0.0 115.383 167.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.97 97.59 Favored 'General case' 0 CA--C 1.569 1.677 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.45 65.61 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.619 1.099 . . . . 0.0 113.958 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.54 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.163 1.912 . . . . 0.0 116.163 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -80.98 50.13 1.34 Allowed 'General case' 0 CA--C 1.58 2.127 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 169.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.41 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.65 1.18 . . . . 0.0 111.682 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.47 72.02 1.3 Allowed Glycine 0 N--CA 1.491 2.307 0 CA-C-N 119.265 0.939 . . . . 0.0 114.982 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.43 129.29 37.44 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -174.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -66.75 -48.44 69.12 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -131.85 131.52 42.87 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-N 119.64 1.109 . . . . 0.0 111.749 171.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.81 111.95 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 -171.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -102.53 106.95 17.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.693 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.5 mt -104.4 111.15 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -90.7 107.19 19.02 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 162.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -101.42 108.23 23.09 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.586 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 171.32 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -88.11 108.3 19.19 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 111.156 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.61 153.29 22.49 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -74.58 -34.53 62.91 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -136.54 172.75 12.55 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 122.906 1.336 . . . . 0.0 113.518 171.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.51 -38.65 87.68 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.03 -40.36 90.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 170.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -51.77 -49.36 62.81 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 158.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.28 -29.28 60.94 Favored 'General case' 0 CA--C 1.566 1.576 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -60.97 -62.2 2.03 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 121.197 1.817 . . . . 0.0 113.621 166.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -59.85 -37.41 79.2 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.93 -34.57 76.86 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 171.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.12 -54.01 51.8 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 157.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -60.69 -57.69 11.64 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 116.899 -1.525 . . . . 0.0 114.147 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.6 mt -43.35 -37.52 2.31 Favored 'General case' 0 N--CA 1.5 2.063 0 N-CA-C 117.646 2.461 . . . . 0.0 117.646 174.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.1 mt -72.15 -59.45 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.887 0 CA-C-O 117.681 -1.152 . . . . 0.0 111.946 167.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.1 -43.7 74.24 Favored 'General case' 0 CA--C 1.58 2.133 0 N-CA-C 117.622 2.453 . . . . 0.0 117.622 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -51.5 -42.26 61.57 Favored 'General case' 0 CA--C 1.577 2.003 0 C-N-CA 126.445 1.898 . . . . 0.0 115.882 162.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 26.8 tp -65.69 -50.7 63.95 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 165.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.76 -38.7 79.03 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -60.61 -42.22 96.39 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 164.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -63.73 -45.96 87.56 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 169.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.59 -47.05 87.91 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.42 51.38 0.58 Allowed Glycine 0 N--CA 1.488 2.156 0 N-CA-C 115.677 1.031 . . . . 0.0 115.677 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -121.67 108.55 13.68 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -66.72 -41.14 88.4 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -95.11 98.84 10.94 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -165.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.4 mt -115.34 95.66 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -90.96 108.05 19.6 Favored 'General case' 0 CA--C 1.566 1.595 0 C-N-CA 123.693 0.797 . . . . 0.0 110.617 -174.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 62.6 t -104.57 120.47 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 123.23 0.612 . . . . 0.0 110.281 -167.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -117.86 111.2 18.71 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.466 -0.771 . . . . 0.0 109.291 161.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.06 101.45 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -97.45 78.59 2.69 Favored 'General case' 0 CA--C 1.569 1.687 0 CA-C-O 121.685 0.755 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.19 -108.95 2.64 Favored Glycine 0 N--CA 1.492 2.42 0 O-C-N 121.492 -0.755 . . . . 0.0 113.612 -168.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.6 p -98.46 -5.55 32.18 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.76 104.72 4.06 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 120.176 1.353 . . . . 0.0 110.922 168.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.4 t -94.14 100.58 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -104.25 110.94 23.35 Favored 'General case' 0 CA--C 1.56 1.363 0 CA-C-O 121.408 0.623 . . . . 0.0 110.508 -174.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.6 mm -111.87 107.27 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -171.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.7 115.89 29.72 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.695 1.236 . . . . 0.0 110.53 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.92 142.45 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.822 0.849 . . . . 0.0 110.906 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -132.02 157.13 44.91 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-O 122.019 0.914 . . . . 0.0 110.757 160.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.497 1.923 0 O-C-N 120.444 -1.41 . . . . 0.0 107.493 168.253 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 24.6 m80 . . . . . 0 CA--C 1.559 1.292 0 CA-C-O 121.237 0.541 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -77.55 87.28 3.88 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 110.276 165.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -78.68 -52.68 8.07 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.3 t -121.57 89.53 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 167.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.12 102.52 15.26 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 161.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.47 107.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.672 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 172.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -115.27 105.13 12.52 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -156.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -102.41 110.37 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.954 -1.091 . . . . 0.0 109.44 -158.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -95.27 102.12 13.9 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.191 0.519 . . . . 0.0 109.78 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.2 mt -93.2 100.64 11.59 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -99.62 114.14 27.01 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-O 121.9 0.857 . . . . 0.0 110.705 -176.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.53 55.69 3.67 Favored 'General case' 0 CA--C 1.575 1.915 0 O-C-N 121.485 -0.76 . . . . 0.0 111.22 171.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.26 5.4 t70 56.58 83.71 0.1 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.102 1.361 . . . . 0.0 112.962 -165.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.18 -54.04 4.84 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 116.934 1.534 . . . . 0.0 116.934 -168.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -65.43 111.55 3.12 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -173.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -110.5 139.89 45.31 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -159.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.2 mt -133.01 117.5 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 162.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -85.19 128.51 34.7 Favored 'General case' 0 CA--C 1.569 1.699 0 CA-C-O 121.3 0.572 . . . . 0.0 112.015 164.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.5 mt -122.16 117.44 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -91.33 103.31 15.98 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.5 mm -102.78 91.73 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 120.601 -1.312 . . . . 0.0 108.764 177.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -103.04 111.73 24.22 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.456 1.102 . . . . 0.0 112.453 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.5 t -130.56 140.86 47.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.995 0 C-N-CA 123.845 0.858 . . . . 0.0 110.196 -162.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t -135.9 105.61 6.16 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 109.671 167.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 t -154.96 -174.43 4.98 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 121.94 0.876 . . . . 0.0 112.751 -168.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.04 -93.61 0.6 Allowed Glycine 0 N--CA 1.49 2.253 0 O-C-N 121.252 -0.905 . . . . 0.0 112.657 159.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -82.98 -32.9 26.78 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.18 -8.95 1.23 Allowed 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 121.282 3.808 . . . . 0.0 121.282 -156.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -47.4 -51.72 18.99 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 151.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -29.92 -56.86 0.18 Allowed 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 164.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -73.79 -39.13 64.35 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.88 97.71 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 164.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.79 -37.55 79.41 Favored 'General case' 0 CA--C 1.576 1.962 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 169.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -64.01 -31.9 73.25 Favored 'General case' 0 CA--C 1.578 2.02 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 164.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -67.81 -37.62 82.21 Favored 'General case' 0 CA--C 1.576 1.977 0 O-C-N 120.035 -1.666 . . . . 0.0 114.727 160.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.46 -44.53 92.98 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -56.84 -48.73 77.36 Favored 'General case' 0 N--CA 1.502 2.146 0 CA-C-N 120.9 1.682 . . . . 0.0 115.533 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -51.73 -54.7 25.56 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 164.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.69 85.66 Favored 'General case' 0 CA--C 1.567 1.608 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.74 -47.15 84.79 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -47.38 76.33 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 168.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.8 ttt-85 -79.73 59.66 3.15 Favored 'General case' 0 CA--C 1.577 2.009 0 CA-C-N 119.382 0.992 . . . . 0.0 113.288 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.08 -54.24 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.456 1.102 . . . . 0.0 112.643 -172.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.23 57.09 1.4 Allowed Glycine 0 N--CA 1.492 2.374 0 N-CA-C 116.224 1.25 . . . . 0.0 116.224 -177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.56 138.13 31.74 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 121.995 0.902 . . . . 0.0 112.894 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -89.38 -50.69 5.97 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.586 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -106.54 146.66 30.35 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 121.649 0.738 . . . . 0.0 109.949 163.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.59 104.48 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.825 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 168.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -96.62 74.92 2.78 Favored 'General case' 0 N--CA 1.495 1.808 0 CA-C-O 122.628 1.204 . . . . 0.0 110.819 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -88.21 133.82 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 C-N-CA 124.079 0.952 . . . . 0.0 111.074 -167.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.7 m -129.55 122.54 29.38 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.906 -1.121 . . . . 0.0 110.786 -171.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.81 112.61 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.792 -0.568 . . . . 0.0 109.809 175.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.1 t -75.8 101.22 5.01 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.546 -0.721 . . . . 0.0 110.998 169.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.79 147.38 26.55 Favored 'General case' 0 CA--C 1.559 1.296 0 CA-C-O 122.208 1.004 . . . . 0.0 113.591 -171.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -73.45 -43.27 60.66 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 116.076 1.88 . . . . 0.0 116.076 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.74 169.88 17.02 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.022 0.929 . . . . 0.0 111.814 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -57.45 -54.63 44.68 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 174.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.5 -36.95 85.48 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.83 -55.41 26.84 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 161.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.97 -34.22 59.13 Favored 'General case' 0 CA--C 1.564 1.509 0 N-CA-C 117.815 2.524 . . . . 0.0 117.815 173.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -58.34 -64.76 0.8 Allowed 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 120.373 1.442 . . . . 0.0 113.546 166.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -61.91 -34.07 75.38 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 176.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 mt -65.99 -41.1 91.55 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 169.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.4 tp -52.09 -58.62 6.02 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 156.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.22 -37.43 78.03 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 -173.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 tt -50.95 -45.31 60.66 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 159.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.83 -47.3 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 CA-C-N 119.797 1.18 . . . . 0.0 113.437 167.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.09 -48.49 78.48 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 171.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -49.16 -46.06 44.77 Favored 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 162.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.28 -58.39 8.73 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 171.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.74 -27.78 64.21 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -63.37 -41.5 98.82 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 159.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.21 -40.21 85.11 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 167.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.37 -42.2 96.3 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 165.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.53 48.01 1.01 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 116.366 1.307 . . . . 0.0 116.366 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.12 105.96 16.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -74.71 -43.94 52.53 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -169.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -95.4 118.37 32.02 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-N 119.581 1.082 . . . . 0.0 109.62 -177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.1 mt -130.07 104.59 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.75 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -166.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -92.27 130.95 37.84 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.396 -0.815 . . . . 0.0 110.726 172.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.27 110.94 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 120.958 -1.089 . . . . 0.0 109.201 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -109.36 111.77 23.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.644 -0.66 . . . . 0.0 110.614 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.0 t -91.76 111.1 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -91.15 73.72 6.28 Favored 'General case' 0 CA--C 1.57 1.739 0 O-C-N 121.289 -0.882 . . . . 0.0 110.699 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.31 -83.28 0.64 Allowed Glycine 0 N--CA 1.494 2.525 0 O-C-N 121.527 -0.733 . . . . 0.0 114.333 -167.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.2 p -110.27 -36.77 5.72 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 166.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.57 117.15 11.73 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 119.739 1.154 . . . . 0.0 112.008 -172.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.8 t -103.12 117.17 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.165 -0.959 . . . . 0.0 109.121 -170.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -94.52 111.23 22.99 Favored 'General case' 0 CA--C 1.563 1.449 0 C-N-CA 123.602 0.761 . . . . 0.0 109.538 169.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.49 111.2 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.718 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -100.43 93.4 5.62 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 124.406 1.082 . . . . 0.0 109.804 -171.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 m -107.79 145.89 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 CA-C-O 121.262 0.553 . . . . 0.0 111.935 -170.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.6 154.11 39.28 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.556 1.17 . . . . 0.0 112.511 175.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.493 1.72 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -172.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 120.603 0.24 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.6 ttp -135.11 109.17 8.2 Favored 'General case' 0 CA--C 1.563 1.458 0 C-N-CA 123.436 0.694 . . . . 0.0 109.671 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.286 7.6 ttpt 89.43 94.3 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 124.963 1.305 . . . . 0.0 113.58 176.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.44 100.89 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 148.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.1 109.68 21.71 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 125.386 1.474 . . . . 0.0 108.698 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 pp -128.86 124.85 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.472 -0.767 . . . . 0.0 110.364 -174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.6 m -126.02 106.94 9.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -174.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -112.96 93.46 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 -166.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -92.62 110.24 21.66 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 123.256 0.622 . . . . 0.0 111.134 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.9 mt -106.21 103.46 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -171.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -78.88 114.49 17.86 Favored 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 119.685 1.129 . . . . 0.0 113.25 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -114.86 86.32 2.42 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 166.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.251 3.0 m-20 55.18 78.47 0.18 Allowed 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.17 -40.27 2.13 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -79.8 101.52 8.54 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -170.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.59 99.12 4.19 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 121.748 0.785 . . . . 0.0 110.476 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.4 mm -81.6 96.41 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -95.81 118.65 32.87 Favored 'General case' 0 CA--C 1.555 1.166 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.909 -164.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.1 95.87 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 170.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -102.34 108.58 19.97 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 123.779 0.832 . . . . 0.0 109.613 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.274 2.2 pp -128.57 145.64 35.23 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 CA-C-O 122.423 1.106 . . . . 0.0 110.476 174.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 -137.1 77.85 1.66 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.57 -0.706 . . . . 0.0 109.366 -168.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.7 t -134.57 153.08 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 -164.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -83.34 84.78 7.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 119.551 -1.968 . . . . 0.0 110.546 168.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.3 p -84.67 132.15 34.5 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -159.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.6 -99.35 1.17 Allowed Glycine 0 N--CA 1.487 2.048 0 C-N-CA 123.693 0.663 . . . . 0.0 112.157 168.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -91.16 26.56 2.14 Favored 'General case' 0 N--CA 1.506 2.347 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 164.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -86.43 -49.66 7.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.613 -1.304 . . . . 0.0 112.632 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.7 tp -52.39 -39.32 60.71 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 159.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -57.02 -53.6 56.21 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -59.16 -43.27 92.1 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -52.63 63.81 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 165.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -53.62 -42.27 67.56 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 171.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -55.26 -53.18 59.26 Favored 'General case' 0 CA--C 1.571 1.752 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -66.82 -39.95 87.85 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 169.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.2 -40.24 95.66 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 116.46 2.022 . . . . 0.0 116.46 175.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -55.27 -54.25 45.87 Favored 'General case' 0 N--CA 1.498 1.955 0 CA-C-N 121.348 1.886 . . . . 0.0 114.21 166.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -49.52 -58.79 4.54 Favored 'General case' 0 CA--C 1.571 1.768 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 167.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.98 -43.18 95.29 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.46 -51.65 61.99 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.52 94.63 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 174.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -64.8 -37.73 88.59 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 168.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.58 -46.69 36.99 Favored 'General case' 0 CA--C 1.565 1.545 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.17 71.95 1.23 Allowed Glycine 0 N--CA 1.49 2.242 0 CA-C-N 119.509 1.049 . . . . 0.0 114.881 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.47 130.97 47.83 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . 0.251 33.9 ptt-85 -94.87 -46.12 7.0 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -105.81 102.77 12.19 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 119.975 1.262 . . . . 0.0 109.405 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.02 105.85 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -169.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -91.28 103.58 16.22 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 118.303 0.502 . . . . 0.0 110.311 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.2 mt -98.58 104.11 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 86.8 m -104.82 116.0 31.27 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 118.682 0.674 . . . . 0.0 110.922 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.4 mp -105.07 110.48 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 175.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -105.45 104.18 13.85 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.82 -179.74 4.39 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.42 -49.06 78.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.816 -1.177 . . . . 0.0 113.98 168.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -137.9 163.2 32.07 Favored 'General case' 0 CA--C 1.567 1.633 0 C-N-CA 124.113 0.965 . . . . 0.0 109.692 171.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -77.0 47.49 0.53 Allowed 'General case' 0 CA--C 1.585 2.295 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 168.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -107.2 -50.92 3.0 Favored 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 124.403 1.081 . . . . 0.0 110.005 150.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -53.03 -54.23 38.44 Favored 'General case' 0 CA--C 1.572 1.823 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.7 88.28 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -56.46 -46.59 80.3 Favored 'General case' 0 CA--C 1.575 1.924 0 N-CA-C 116.22 1.933 . . . . 0.0 116.22 166.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.32 -42.27 75.58 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 169.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.5 -38.38 80.76 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 168.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -44.36 -54.51 5.76 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 161.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -57.69 -46.82 83.81 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 169.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.2 tt -54.8 -47.28 74.21 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 168.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mt -60.09 -48.92 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-N 119.19 0.905 . . . . 0.0 112.752 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.32 -47.28 66.1 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 169.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -54.03 -47.78 71.2 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 165.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -52.5 -55.87 19.05 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 115.446 1.647 . . . . 0.0 115.446 165.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.16 -38.33 72.18 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -64.43 -39.69 94.31 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 165.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -60.03 -46.66 88.77 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 166.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.11 -44.99 94.11 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 169.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.02 66.32 0.45 Allowed Glycine 0 N--CA 1.488 2.119 0 CA-C-N 119.146 0.884 . . . . 0.0 114.84 172.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.81 126.48 46.52 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 117.48 0.64 . . . . 0.0 111.017 -173.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -89.92 -47.33 7.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 116.684 2.105 . . . . 0.0 116.684 -176.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -93.69 104.94 17.01 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-N 120.503 1.501 . . . . 0.0 108.813 176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.3 mt -124.78 105.34 14.97 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.53 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -78.78 92.41 4.82 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 122.28 1.038 . . . . 0.0 110.532 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.3 t -82.49 112.5 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 C-N-CA 124.238 1.015 . . . . 0.0 108.736 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -134.08 109.98 9.31 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.7 -0.625 . . . . 0.0 111.905 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.3 t -90.92 108.18 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 C-N-CA 124.12 0.968 . . . . 0.0 108.68 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -101.01 80.74 2.16 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.4 -101.87 0.81 Allowed Glycine 0 N--CA 1.494 2.504 0 O-C-N 121.002 -1.061 . . . . 0.0 114.951 -177.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.0 p -88.07 -17.68 30.56 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 166.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -100.89 97.96 8.5 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.637 1.175 . . . . 0.0 108.456 -161.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.7 t -103.42 101.24 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -168.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -90.28 117.08 28.74 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-O 121.678 0.751 . . . . 0.0 111.832 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.9 mm -102.86 99.86 9.24 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.633 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 175.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -102.76 103.56 13.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.433 0.635 . . . . 0.0 111.683 -170.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.3 t -71.02 140.59 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.534 -0.729 . . . . 0.0 110.802 171.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -134.88 95.68 3.38 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.499 1.986 0 O-C-N 120.338 -1.476 . . . . 0.0 108.456 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 CA--C 1.562 1.441 0 CA-C-O 122.441 1.115 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.1 ttt -77.11 113.64 15.06 Favored 'General case' 0 CA--C 1.567 1.626 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -83.41 -112.8 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.289 -172.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.54 84.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-N 120.464 1.484 . . . . 0.0 107.779 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.15 114.47 23.02 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.048 0.939 . . . . 0.0 108.535 163.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.273 12.7 tt -97.01 107.98 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.752 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 161.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -108.59 118.74 37.57 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.17 126.21 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.3 108.16 19.42 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 160.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.05 93.05 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -85.31 88.56 7.51 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-O 123.275 1.512 . . . . 0.0 111.391 -171.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -87.4 151.41 23.1 Favored 'General case' 0 CA--C 1.565 1.543 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.423 171.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.63 92.59 0.86 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.851 -1.156 . . . . 0.0 112.474 -172.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.08 -35.4 3.53 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -160.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -142.35 122.81 14.04 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 120.047 1.924 . . . . 0.0 111.44 -173.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -86.22 100.96 12.61 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 109.531 162.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -85.34 97.86 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -119.94 146.76 45.51 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 -160.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 pt -145.82 135.63 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 123.02 0.528 . . . . 0.0 111.62 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -103.2 115.2 30.12 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.964 0.905 . . . . 0.0 110.111 162.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 pp -127.9 121.89 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.811 -1.181 . . . . 0.0 109.517 174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -130.38 117.82 20.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.568 0.699 . . . . 0.0 112.492 -167.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.36 174.01 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 123.103 1.43 . . . . 0.0 111.251 -165.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -152.08 88.85 1.41 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 119.512 -1.993 . . . . 0.0 108.68 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -167.24 -54.6 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -158.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.26 -69.32 0.78 Allowed Glycine 0 N--CA 1.489 2.168 0 O-C-N 121.3 -0.875 . . . . 0.0 113.332 -165.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.45 -40.09 92.81 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -173.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.26 -37.31 86.73 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 122.062 2.21 . . . . 0.0 114.7 169.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 tp -57.91 -43.48 86.22 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 162.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.93 -47.13 71.56 Favored 'General case' 0 N--CA 1.501 2.078 0 CA-C-N 120.951 1.705 . . . . 0.0 115.495 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.4 -49.18 78.58 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 167.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.49 88.31 Favored 'General case' 0 CA--C 1.569 1.697 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 171.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -52.18 -51.25 59.24 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.767 1.765 . . . . 0.0 115.767 166.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -63.93 -39.3 93.85 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.88 -47.58 80.1 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 166.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 mt -54.1 -47.42 71.79 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.252 3.3 pt-20 -55.72 -48.24 75.52 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 170.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -62.01 -54.31 43.41 Favored 'General case' 0 CA--C 1.572 1.803 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 171.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 -31.2 72.32 Favored 'General case' 0 CA--C 1.565 1.534 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -53.97 16.58 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-N 120.389 1.45 . . . . 0.0 113.476 166.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.59 -50.14 74.74 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -80.49 61.22 4.15 Favored 'General case' 0 CA--C 1.579 2.066 0 CA-C-N 119.723 1.147 . . . . 0.0 112.476 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.199 1.399 . . . . 0.0 112.023 -176.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.39 74.0 1.26 Allowed Glycine 0 N--CA 1.49 2.268 0 CA-C-N 119.447 1.021 . . . . 0.0 115.418 177.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.14 130.6 38.74 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -78.99 -43.19 24.9 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -117.98 133.1 56.24 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 119.5 1.045 . . . . 0.0 109.106 178.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.5 t -138.9 109.5 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.193 -1.567 . . . . 0.0 110.315 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -89.15 109.98 20.77 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.449 -0.782 . . . . 0.0 110.259 169.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -106.12 111.27 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.63 130.98 46.75 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 171.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.2 tt -128.99 127.12 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 C-N-CA 122.557 0.343 . . . . 0.0 111.217 169.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.2 p -83.43 139.02 33.22 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.037 -1.04 . . . . 0.0 113.8 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.81 156.27 24.17 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.42 -38.22 86.95 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 167.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -147.19 174.77 11.29 Favored 'General case' 0 CA--C 1.577 1.99 0 C-N-CA 124.284 1.034 . . . . 0.0 111.115 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.93 -45.8 92.1 Favored 'General case' 0 CA--C 1.578 2.055 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.67 -38.03 88.76 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 169.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -60.99 -39.35 89.31 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 163.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.55 90.96 Favored 'General case' 0 CA--C 1.567 1.627 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 166.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -52.99 -54.84 29.23 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 161.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.13 -33.95 76.55 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.89 -39.84 94.16 Favored 'General case' 0 CA--C 1.576 1.948 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 162.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.6 tp -53.92 -53.34 54.1 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 161.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -30.98 63.49 Favored 'General case' 0 CA--C 1.578 2.042 0 N-CA-C 116.685 2.105 . . . . 0.0 116.685 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.1 tp -66.05 -56.76 9.94 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 120.006 1.275 . . . . 0.0 114.386 163.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.3 mt -62.49 -45.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 CA-C-N 119.787 1.176 . . . . 0.0 113.391 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.88 -45.81 64.26 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 116.47 2.026 . . . . 0.0 116.47 170.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -41.6 99.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 168.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.6 tp -53.89 -50.68 65.81 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 164.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.65 -34.57 77.22 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -62.92 -45.92 90.24 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 161.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.75 -48.23 69.91 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 167.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -65.12 -44.92 87.13 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.34 75.86 1.03 Allowed Glycine 0 N--CA 1.487 2.092 0 CA-C-N 119.637 1.108 . . . . 0.0 114.225 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -126.8 143.87 51.13 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.78 0.8 . . . . 0.0 112.179 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -74.29 -61.97 1.68 Allowed 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -102.31 83.33 2.3 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.437 1.017 . . . . 0.0 109.565 -167.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.2 mt -93.18 95.4 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -96.67 105.13 17.19 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.481 0.658 . . . . 0.0 110.602 -168.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 122.23 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.824 0 CA-C-O 121.675 0.75 . . . . 0.0 112.517 176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -138.11 70.89 1.39 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -170.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.6 t -87.7 117.21 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.053 -1.029 . . . . 0.0 110.38 -166.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . 0.25 34.3 t30 -94.94 71.63 3.42 Favored 'General case' 0 CA--C 1.572 1.789 0 C-N-CA 124.488 1.115 . . . . 0.0 110.343 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.24 -104.25 1.16 Allowed Glycine 0 N--CA 1.491 2.367 0 O-C-N 121.478 -0.764 . . . . 0.0 114.875 -172.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.6 p -92.69 -10.57 36.73 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 168.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.94 102.04 11.44 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 124.794 1.238 . . . . 0.0 109.872 172.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.66 94.88 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -171.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -92.21 113.53 25.83 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 34.3 mt -111.9 118.05 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -114.87 102.29 9.84 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.456 -160.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.8 t -81.04 131.56 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.434 -0.792 . . . . 0.0 109.924 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.15 132.43 56.08 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 121.554 0.692 . . . . 0.0 109.814 158.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 178.127 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 77.1 m80 . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -135.79 126.47 27.22 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 120.087 1.312 . . . . 0.0 108.644 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.302 0.2 OUTLIER -125.21 -128.53 0.24 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.07 171.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.01 88.6 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 N-CA-C 103.94 -2.615 . . . . 0.0 103.94 166.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.65 93.19 9.36 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 121.695 0.76 . . . . 0.0 109.507 -166.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.1 mt -88.9 91.92 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -169.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.9 m -104.96 103.66 13.26 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.722 0.809 . . . . 0.0 108.934 -175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mt -103.83 106.01 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -173.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -91.63 103.22 15.84 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 123.874 0.87 . . . . 0.0 110.245 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.0 94.71 4.71 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.805 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -94.73 107.89 19.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.403 -0.81 . . . . 0.0 111.848 -166.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.4 mtp-105 -123.75 75.06 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.077 0.551 . . . . 0.0 111.513 -170.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 48.77 62.22 2.69 Favored 'General case' 0 N--CA 1.506 2.366 0 N-CA-C 115.818 1.785 . . . . 0.0 115.818 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.25 -38.68 3.19 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 117.523 1.769 . . . . 0.0 117.523 -166.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -78.6 81.34 4.92 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 119.343 1.571 . . . . 0.0 111.557 175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -93.14 103.99 16.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 121.513 0.673 . . . . 0.0 110.718 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -97.71 106.43 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -174.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -103.81 120.02 40.11 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.697 0.799 . . . . 0.0 112.795 -176.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.8 mp -122.2 110.71 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -174.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -100.62 125.58 47.02 Favored 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 123.87 0.868 . . . . 0.0 112.706 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.2 pt -133.07 122.69 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 O-C-N 120.945 -1.097 . . . . 0.0 110.492 175.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -93.83 115.0 27.37 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.774 -1.204 . . . . 0.0 111.15 175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 57.9 t -130.97 146.69 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 O-C-N 121.628 -0.67 . . . . 0.0 110.173 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.2 p -158.33 101.81 1.73 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 119.44 -2.038 . . . . 0.0 110.892 160.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.5 t -164.56 -39.56 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 117.124 2.268 . . . . 0.0 117.124 -172.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.7 68.0 1.72 Allowed Glycine 0 N--CA 1.497 2.743 0 CA-C-N 121.275 1.852 . . . . 0.0 115.082 -164.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.299 17.6 ptmt 176.0 -61.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.548 1.139 . . . . 0.0 111.49 -177.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -84.26 -24.61 29.87 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.65 -50.03 64.0 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-N 120.015 1.28 . . . . 0.0 114.185 158.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -60.12 -36.81 78.29 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.3 mtm-85 -65.73 -56.34 12.59 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 161.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.95 -48.3 81.03 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.59 -42.4 71.03 Favored 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 169.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -67.55 -43.18 81.31 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-N 120.902 1.683 . . . . 0.0 115.317 172.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -65.37 -31.16 72.12 Favored 'General case' 0 CA--C 1.576 1.969 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.0 mt -69.9 -42.57 73.22 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-N 121.339 1.881 . . . . 0.0 115.353 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -43.79 -58.56 2.66 Favored 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 156.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -55.9 -43.19 77.03 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 170.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.73 -35.58 70.88 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 117.882 2.549 . . . . 0.0 117.882 169.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 tp -59.75 -42.85 94.15 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 164.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.51 -37.79 88.77 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 164.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -57.23 -46.49 82.92 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 164.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.22 -47.39 16.04 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.14 88.65 0.23 Allowed Glycine 0 N--CA 1.486 2.0 0 CA-C-N 119.457 1.026 . . . . 0.0 113.534 -168.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.25 124.48 24.57 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 117.717 0.759 . . . . 0.0 112.682 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -73.3 -45.23 56.65 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 170.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -95.89 116.24 28.63 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 119.897 1.226 . . . . 0.0 110.006 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.74 102.23 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -88.21 101.41 13.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.111 0.965 . . . . 0.0 110.151 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.07 107.4 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 m -101.23 122.74 44.21 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.3 mm -112.52 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 165.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -85.42 102.35 13.38 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-N 119.117 0.871 . . . . 0.0 110.459 171.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.39 169.13 11.33 Favored 'General case' 0 CA--C 1.564 1.495 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -171.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.96 -47.51 68.44 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 171.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -130.14 153.43 48.53 Favored 'General case' 0 CA--C 1.565 1.538 0 CA-C-O 122.282 1.039 . . . . 0.0 110.774 -172.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -54.4 -34.17 60.77 Favored 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 161.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -57.04 -43.8 82.3 Favored 'General case' 0 CA--C 1.577 2.019 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 165.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -59.95 -40.33 88.64 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 116.141 1.904 . . . . 0.0 116.141 167.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.15 57.09 Favored 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 117.684 2.476 . . . . 0.0 117.684 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.01 -60.1 4.37 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 173.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.98 -35.77 81.3 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.8 mt -56.99 -47.94 79.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 165.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.8 tp -52.14 -55.91 17.88 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 167.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.56 -43.19 94.69 Favored 'General case' 0 CA--C 1.573 1.849 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.86 -48.38 81.94 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 116.269 1.951 . . . . 0.0 116.269 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.5 mt -64.15 -50.74 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 CA-C-N 120.353 1.433 . . . . 0.0 112.836 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.13 82.64 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -49.81 -53.14 27.16 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 161.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -54.5 -53.04 59.61 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.421 ' HG ' HG21 ' A' ' 90' ' ' VAL . 4.2 mm? -74.85 -33.38 62.13 Favored 'General case' 0 CA--C 1.57 1.715 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -57.75 -40.52 79.89 Favored 'General case' 0 CA--C 1.574 1.89 0 N-CA-C 115.656 1.724 . . . . 0.0 115.656 161.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -57.88 -46.59 84.65 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 167.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.99 -48.75 67.5 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 174.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.38 57.16 0.04 OUTLIER Glycine 0 N--CA 1.487 2.042 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -127.39 99.77 5.77 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -73.74 -35.91 65.1 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -90.93 80.44 5.77 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 119.395 0.998 . . . . 0.0 109.962 -166.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.8 mt -99.82 100.21 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -167.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -113.6 109.64 18.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.507 -0.746 . . . . 0.0 110.602 -172.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.6 p -104.17 136.47 37.3 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.703 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -104.23 115.44 30.41 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 151.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.3 t -85.22 95.18 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 164.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.34 86.42 2.42 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-O 121.609 0.719 . . . . 0.0 110.566 -166.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 76.5 -103.75 1.77 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 121.548 -0.72 . . . . 0.0 113.244 -172.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.6 p -108.94 7.42 25.95 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 162.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.57 128.11 35.22 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 120.397 1.453 . . . . 0.0 111.915 166.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -97.05 89.43 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 151.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 92.06 7.19 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.334 0.653 . . . . 0.0 109.371 176.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 50.2 mt -101.39 115.68 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -91.34 115.43 28.02 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.873 -0.517 . . . . 0.0 109.635 162.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' HG ' ' A' ' 69' ' ' LEU . 31.5 m -103.57 138.17 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 CA-C-O 121.212 0.53 . . . . 0.0 111.33 174.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -128.95 159.64 35.22 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 122.354 1.073 . . . . 0.0 112.112 170.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.0 -1.063 . . . . 0.0 108.255 -175.506 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 27.3 ttt -106.47 110.66 22.93 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.597 0.759 . . . . 0.0 110.052 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -132.41 -92.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.776 -0.578 . . . . 0.0 109.744 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.6 t -112.52 86.48 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 N-CA-C 105.334 -2.099 . . . . 0.0 105.334 174.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -93.69 98.35 11.06 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 121.667 0.746 . . . . 0.0 110.92 -161.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mm -85.03 106.0 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 C-N-CA 123.338 0.655 . . . . 0.0 109.532 -171.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.1 m -105.15 100.1 9.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 172.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mm -86.55 104.81 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -101.19 103.35 14.38 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 119.536 1.062 . . . . 0.0 110.619 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 mt -98.91 106.55 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.3 tm0? -98.3 120.42 38.68 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-O 121.742 0.782 . . . . 0.0 110.776 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 -135.09 131.0 36.4 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.684 0.794 . . . . 0.0 109.368 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.29 45.65 28.07 Favored 'General case' 0 N--CA 1.509 2.497 0 N-CA-C 116.724 2.12 . . . . 0.0 116.724 161.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.39 28.79 73.69 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 119.863 2.705 . . . . 0.0 119.863 -166.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -141.11 97.01 3.09 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 119.285 1.543 . . . . 0.0 109.407 -174.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -90.15 101.98 14.7 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.91 0.884 . . . . 0.0 111.393 176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -91.82 105.75 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.02 115.48 30.51 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.878 0.847 . . . . 0.0 112.622 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -113.18 114.04 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -75.69 116.61 16.58 Favored 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 163.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.269 9.8 tp -133.56 61.49 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 CA-C-O 122.388 1.09 . . . . 0.0 110.04 174.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -71.82 141.41 49.64 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.62 2.082 . . . . 0.0 116.62 -170.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.2 t -118.56 123.65 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 121.651 0.738 . . . . 0.0 109.639 -163.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 p -137.86 86.51 2.18 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 161.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.299 3.0 t -161.28 -71.09 0.06 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 119.016 -0.516 . . . . 0.0 110.888 -168.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.43 125.36 5.62 Favored Glycine 0 N--CA 1.491 2.337 0 CA-C-N 119.523 1.056 . . . . 0.0 112.626 -173.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.31 96.7 mttt 72.06 -41.07 0.49 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 116.166 1.914 . . . . 0.0 116.166 -169.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -77.32 70.72 3.74 Favored 'General case' 0 CA--C 1.575 1.919 0 CA-C-O 124.092 1.901 . . . . 0.0 110.832 174.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.3 tp -168.13 -56.25 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 113.02 -1.9 . . . . 0.0 107.762 -159.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.72 -46.43 77.75 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 165.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -53.2 -50.96 63.59 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 166.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.52 81.21 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 170.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 tt -49.18 -45.0 43.45 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.94 -47.0 76.13 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 115.692 1.738 . . . . 0.0 115.692 172.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 168.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.78 -42.61 97.89 Favored 'General case' 0 CA--C 1.567 1.618 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 167.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.276 0.7 OUTLIER -59.5 -45.35 91.97 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 121.404 1.911 . . . . 0.0 115.589 169.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -50.05 -55.07 16.27 Favored 'General case' 0 CA--C 1.573 1.846 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 161.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.78 95.46 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 172.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tt -50.81 -53.21 33.91 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 166.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.91 -50.43 64.47 Favored 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -66.92 -29.29 69.13 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.07 -26.3 68.18 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.9 61.25 1.61 Allowed Glycine 0 N--CA 1.489 2.224 0 CA-C-N 119.636 1.107 . . . . 0.0 115.234 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.1 156.06 36.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.34 -55.17 1.96 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 168.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -119.9 112.72 19.56 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.662 0.785 . . . . 0.0 108.958 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -106.92 116.55 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.271 15.8 pt20 -115.37 100.52 8.17 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 121.681 0.753 . . . . 0.0 111.547 173.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.17 113.29 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.8 m -99.09 107.5 19.91 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -104.05 112.08 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -97.56 108.29 20.98 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 110.917 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.75 166.7 10.74 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -171.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.48 -50.36 59.33 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -126.23 160.97 28.83 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 122.446 1.117 . . . . 0.0 111.99 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -56.41 -40.25 74.39 Favored 'General case' 0 CA--C 1.576 1.965 0 N-CA-C 116.98 2.215 . . . . 0.0 116.98 168.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.48 -45.72 62.88 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 163.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -61.18 -53.75 53.02 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 168.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.29 -42.13 40.22 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 117.612 2.449 . . . . 0.0 117.612 169.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -56.8 -55.81 29.62 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 170.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.37 -36.11 78.72 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.0 -42.68 94.28 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 172.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.5 tp -42.92 -57.07 2.99 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 157.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.01 -46.73 83.19 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -54.9 -47.67 74.03 Favored 'General case' 0 CA--C 1.57 1.745 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 168.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 62.8 mt -64.84 -47.89 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 120.146 1.339 . . . . 0.0 112.986 172.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.53 -50.74 62.25 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 168.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -55.06 -46.65 75.39 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 168.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.04 -57.29 9.01 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 166.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.71 -40.55 72.76 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.43 -45.61 80.66 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 163.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -57.15 -44.06 83.06 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 168.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.65 -53.02 60.82 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 174.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.38 68.86 0.05 OUTLIER Glycine 0 N--CA 1.487 2.057 0 CA-C-N 118.937 0.79 . . . . 0.0 113.85 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -136.69 135.53 38.27 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 123.012 0.525 . . . . 0.0 111.032 -169.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -109.03 -49.14 3.17 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -172.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -86.17 82.81 7.91 Favored 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 120.068 1.304 . . . . 0.0 110.175 -170.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.26 98.74 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -166.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -104.73 102.31 11.89 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.035 0.922 . . . . 0.0 109.798 -173.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.48 129.94 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.431 0.692 . . . . 0.0 110.029 -172.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -132.12 129.84 40.4 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.502 -0.749 . . . . 0.0 110.1 162.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -116.8 107.34 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -94.66 85.71 4.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.506 -0.746 . . . . 0.0 109.959 172.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.66 -97.48 0.71 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 121.67 -0.644 . . . . 0.0 113.977 -173.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 p -107.97 2.15 23.05 Favored 'General case' 0 CA--C 1.578 2.053 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 167.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.4 96.46 8.55 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.477 1.49 . . . . 0.0 110.272 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.9 t -99.12 101.02 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -95.17 116.83 29.25 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.616 0.644 . . . . 0.0 112.365 172.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.3 mm -105.87 96.51 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -91.74 118.14 30.4 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.22 0.608 . . . . 0.0 111.633 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.0 m -125.31 127.94 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 122.84 0.456 . . . . 0.0 111.893 -171.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -103.51 145.76 29.54 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.902 0.858 . . . . 0.0 111.575 169.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.3 t . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 123.345 1.545 . . . . 0.0 112.896 -176.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.171 0.51 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.3 mtp -85.75 68.82 10.5 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.794 -1.191 . . . . 0.0 113.066 -177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -157.92 118.51 3.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 65.9 t -83.35 112.19 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.567 0.747 . . . . 0.0 109.075 -170.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -75.69 119.73 20.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 168.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.6 mp -110.97 85.46 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.569 1.699 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 166.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.0 m -84.88 115.57 22.84 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.956 -1.09 . . . . 0.0 109.975 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.9 mm -100.52 112.22 32.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -108.27 111.31 23.2 Favored 'General case' 0 CA--C 1.563 1.445 0 O-C-N 121.564 -0.71 . . . . 0.0 110.004 170.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.4 mt -89.49 104.17 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -95.77 89.77 5.41 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.508 0.671 . . . . 0.0 111.085 -171.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.11 74.33 4.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.939 -1.101 . . . . 0.0 111.353 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 52.91 58.31 5.46 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.64 -48.98 1.47 Allowed Glycine 0 N--CA 1.492 2.381 0 N-CA-C 116.654 1.422 . . . . 0.0 116.654 -164.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.55 99.65 4.32 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 119.39 1.595 . . . . 0.0 111.347 -177.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -108.23 97.99 7.59 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.764 0.793 . . . . 0.0 112.456 -163.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.87 92.03 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.02 -1.05 . . . . 0.0 108.955 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.35 124.32 33.25 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.4 pt -131.21 122.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.564 0.697 . . . . 0.0 110.406 174.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.88 92.23 5.73 Favored 'General case' 0 CA--C 1.57 1.717 0 C-N-CA 124.179 0.992 . . . . 0.0 112.69 -172.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 70.7 mt -88.25 94.57 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 120.357 -1.464 . . . . 0.0 108.596 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -103.63 108.81 20.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.465 -0.772 . . . . 0.0 111.461 -168.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.9 137.21 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 121.344 -0.848 . . . . 0.0 110.564 -162.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 t -143.26 83.21 1.78 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.893 -1.13 . . . . 0.0 112.226 171.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.265 3.0 t -165.39 -72.38 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 113.448 0.906 . . . . 0.0 113.448 -170.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.16 -62.77 0.42 Allowed Glycine 0 N--CA 1.491 2.329 0 CA-C-N 119.333 0.969 . . . . 0.0 114.01 -164.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -85.96 -129.06 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.796 164.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.286 19.0 tt0 67.5 -60.24 0.39 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.076 2.25 . . . . 0.0 117.076 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.3 tp -54.76 -47.15 74.23 Favored 'General case' 0 CA--C 1.567 1.598 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 162.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -51.32 -44.53 61.98 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.15 -49.31 74.87 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 168.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.34 92.86 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 116.655 2.095 . . . . 0.0 116.655 170.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.4 tp -52.47 -44.59 65.69 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 170.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -59.58 -48.53 81.31 Favored 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 169.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.36 -37.94 89.27 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 168.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 85.1 mt -58.78 -47.95 82.93 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 120.826 1.648 . . . . 0.0 115.118 169.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -49.65 -54.09 20.55 Favored 'General case' 0 CA--C 1.574 1.902 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 165.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -53.07 -55.44 23.81 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 168.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.44 94.81 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.77 -41.21 97.41 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.9 -51.56 57.6 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 166.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.43 -37.94 83.81 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.44 -35.44 70.92 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 117.025 2.231 . . . . 0.0 117.025 167.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.04 68.21 1.14 Allowed Glycine 0 N--CA 1.487 2.079 0 CA-C-N 119.068 0.849 . . . . 0.0 113.886 -173.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.96 93.51 9.5 Favored 'General case' 0 CA--C 1.563 1.454 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -43.25 73.07 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -121.93 129.82 52.84 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 119.499 1.045 . . . . 0.0 109.015 168.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.5 120.91 49.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 172.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.262 12.2 pt20 -103.42 112.59 25.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.557 -0.715 . . . . 0.0 111.687 167.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -99.26 113.56 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -107.02 109.84 21.83 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.9 tt -106.62 116.87 51.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 122.672 0.389 . . . . 0.0 111.328 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -88.74 106.44 18.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.723 -0.611 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.64 160.07 14.9 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.2 -41.85 85.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 177.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -144.11 166.5 24.84 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 124.49 1.116 . . . . 0.0 110.866 -172.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.57 -43.18 75.69 Favored 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 168.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -62.06 -44.74 96.04 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -57.2 -48.92 77.56 Favored 'General case' 0 N--CA 1.501 2.075 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 167.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.95 -42.96 63.27 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.058 2.244 . . . . 0.0 117.058 164.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.49 93.0 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 115.84 1.793 . . . . 0.0 115.84 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -66.74 -46.69 74.64 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 120.08 1.309 . . . . 0.0 114.238 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 76.6 mt -57.28 -35.86 70.3 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 170.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.6 tp -52.06 -50.57 61.25 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 165.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -54.94 27.1 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 165.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.18 -45.0 72.0 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.9 mt -68.48 -57.09 10.08 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.996 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.815 169.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.97 67.17 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 117.753 2.501 . . . . 0.0 117.753 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.97 -44.79 87.28 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 166.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 tp -56.12 -52.05 65.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 164.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD22 HG21 ' A' ' 90' ' ' VAL . 65.2 mt -59.9 -50.45 73.72 Favored 'General case' 0 CA--C 1.572 1.816 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -62.19 -35.34 78.53 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 169.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -64.6 -40.08 94.88 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 165.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -49.01 79.22 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 170.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.08 57.97 0.33 Allowed Glycine 0 N--CA 1.485 1.936 0 N-CA-C 114.925 0.73 . . . . 0.0 114.925 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -109.25 112.51 24.7 Favored 'General case' 0 CA--C 1.561 1.384 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -63.23 -40.69 98.17 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -105.4 121.84 44.74 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.2 mt -125.94 94.74 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -108.65 99.82 9.14 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.446 -0.784 . . . . 0.0 110.399 -157.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.7 t -102.48 129.6 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 C-N-CA 123.369 0.667 . . . . 0.0 111.148 -161.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -140.21 124.94 18.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.402 -0.811 . . . . 0.0 110.674 163.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.1 p -91.49 123.67 43.71 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.717 0 O-C-N 121.44 -0.787 . . . . 0.0 111.938 172.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -96.79 86.97 4.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.286 -0.884 . . . . 0.0 109.698 169.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.47 -93.75 0.72 Allowed Glycine 0 N--CA 1.491 2.364 0 O-C-N 121.612 -0.68 . . . . 0.0 113.74 -172.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.7 p -110.07 -2.75 16.82 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 164.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -82.59 101.95 11.11 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.499 1.5 . . . . 0.0 110.894 -177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.7 t -85.99 100.49 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -176.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -94.69 101.24 13.08 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 123.643 0.777 . . . . 0.0 109.467 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 39.7 mt -102.9 108.91 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -94.75 114.58 26.51 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-O 121.227 0.537 . . . . 0.0 110.533 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG21 HD22 ' A' ' 69' ' ' LEU . 4.0 m -96.42 143.0 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 172.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -130.03 127.99 41.06 Favored 'General case' 0 CA--C 1.565 1.555 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.499 2.019 0 CA-C-O 124.4 2.048 . . . . 0.0 111.251 -176.505 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 41.9 m80 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.23 141.63 30.86 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 118.857 0.753 . . . . 0.0 111.838 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -76.8 89.33 3.43 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.566 -0.709 . . . . 0.0 111.461 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -136.52 78.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 161.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -94.68 134.67 37.01 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.634 -0.666 . . . . 0.0 110.611 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.5 pp -107.0 111.03 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 157.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 m -108.88 103.07 12.05 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -112.33 106.42 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -170.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -110.87 118.04 35.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.345 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mt -97.34 109.4 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -82.47 82.53 7.87 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.659 0.742 . . . . 0.0 109.478 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -97.0 97.36 9.18 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.37 -0.831 . . . . 0.0 111.168 -162.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . 0.366 7.8 m-20 77.56 -77.82 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 CA-C-O 122.141 0.972 . . . . 0.0 112.196 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.87 57.48 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 CA-C-N 114.625 -1.17 . . . . 0.0 113.322 150.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -144.98 103.82 3.92 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 117.481 0.641 . . . . 0.0 109.803 -174.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.53 101.4 8.23 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.84 98.23 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -173.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -83.51 124.98 31.28 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.807 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.6 mm -117.63 95.81 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 106.741 -1.578 . . . . 0.0 106.741 167.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.55 96.79 6.19 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.301 1.04 . . . . 0.0 111.403 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.37 144.39 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.919 -1.113 . . . . 0.0 111.444 -175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -106.15 144.33 33.01 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.03 89.56 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.675 -0.641 . . . . 0.0 109.492 -161.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.7 p -103.85 84.16 2.22 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.522 -1.361 . . . . 0.0 114.446 -162.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -179.41 -54.12 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 C-N-CA 123.71 0.804 . . . . 0.0 112.813 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.8 -59.63 0.45 Allowed Glycine 0 N--CA 1.49 2.259 0 CA-C-N 119.059 0.845 . . . . 0.0 113.526 -155.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -63.8 -44.2 94.01 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -53.78 -47.22 70.95 Favored 'General case' 0 CA--C 1.574 1.893 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 162.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.7 tp -61.82 -47.42 85.18 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 173.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -51.19 -53.47 34.61 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 166.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.78 -47.33 86.14 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.3 47.0 Favored 'General case' 0 CA--C 1.563 1.46 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 170.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -59.06 -40.15 84.24 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 116.229 1.937 . . . . 0.0 116.229 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -52.55 -53.31 48.01 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 114.711 1.375 . . . . 0.0 114.711 165.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . 0.255 15.3 tp10 -66.15 -32.19 73.48 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 169.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.8 mt -55.6 -50.45 70.09 Favored 'General case' 0 N--CA 1.504 2.257 0 CA-C-N 123.489 2.859 . . . . 0.0 114.736 165.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -47.95 -52.83 18.09 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -59.77 -53.48 57.5 Favored 'General case' 0 CA--C 1.576 1.977 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 169.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.48 73.95 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 117.907 2.558 . . . . 0.0 117.907 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 mp -55.53 -45.46 77.19 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 170.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.65 -47.71 62.38 Favored 'General case' 0 CA--C 1.573 1.844 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 166.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -56.94 -51.41 69.27 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 -19.49 52.85 Favored 'General case' 0 CA--C 1.568 1.661 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.53 65.0 2.06 Favored Glycine 0 N--CA 1.489 2.205 0 CA-C-N 120.107 1.321 . . . . 0.0 114.515 -172.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.07 90.8 8.53 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-O 122.44 1.114 . . . . 0.0 113.19 -168.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -63.98 -44.33 93.03 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -136.35 103.19 5.2 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -171.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.1 t -124.26 114.88 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.116 -0.99 . . . . 0.0 108.965 -166.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.56 117.07 27.25 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.48 -0.762 . . . . 0.0 110.185 162.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -98.55 100.71 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 172.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -99.27 107.17 19.41 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 tt -103.44 116.83 47.91 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.51 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 t -101.14 106.35 17.59 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.969 -0.457 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.93 169.61 9.52 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -77.39 -44.18 30.13 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -107.69 154.04 22.05 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 119.084 0.856 . . . . 0.0 112.226 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.02 -45.46 94.71 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 165.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -54.97 -39.15 68.66 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 167.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -58.79 -53.72 55.2 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 166.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.5 79.79 Favored 'General case' 0 CA--C 1.571 1.778 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 171.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -51.16 -51.63 51.83 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 164.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -64.04 -44.43 92.53 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 170.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.53 -33.92 71.98 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 170.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.0 tp -54.91 -53.56 53.97 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 166.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -48.66 -57.42 6.29 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 163.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -57.75 -46.49 84.44 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.25 -56.21 15.5 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.007 0 CA-C-O 117.742 -1.123 . . . . 0.0 112.131 170.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -43.05 66.06 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 117.241 2.312 . . . . 0.0 117.241 178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -58.64 -40.41 83.34 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 166.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.62 -50.3 74.07 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 164.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.407 HD13 ' CG1' ' A' ' 90' ' ' VAL . 45.5 mt -58.46 -43.54 88.92 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -51.6 -46.66 63.63 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 161.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.67 -18.36 63.55 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 171.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.6 -59.44 2.72 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 121.403 1.91 . . . . 0.0 112.844 160.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.95 79.03 0.45 Allowed Glycine 0 N--CA 1.484 1.89 0 CA-C-N 118.709 0.686 . . . . 0.0 113.165 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -132.9 127.56 34.64 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.269 0.628 . . . . 0.0 109.894 -176.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -72.92 -46.01 54.99 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.98 127.24 39.65 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.4 mm -125.03 88.33 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.753 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 173.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -99.59 94.23 6.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 111.166 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.8 p -83.27 129.66 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 121.307 -0.871 . . . . 0.0 112.286 173.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.51 111.34 13.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 166.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.1 t -94.47 128.5 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.565 -0.709 . . . . 0.0 109.835 -172.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -110.67 71.13 0.74 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.404 -0.81 . . . . 0.0 110.742 169.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.63 -98.58 0.35 Allowed Glycine 0 N--CA 1.491 2.318 0 O-C-N 121.546 -0.722 . . . . 0.0 114.844 -171.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -91.93 -8.44 46.29 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.92 111.65 22.78 Favored 'General case' 0 CA--C 1.563 1.465 0 CA-C-N 119.656 1.117 . . . . 0.0 109.852 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 16.6 t -103.95 102.5 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -90.85 102.1 14.86 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.62 0.645 . . . . 0.0 111.604 169.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.8 mt -94.88 105.07 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -87.89 106.27 17.99 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.481 1.112 . . . . 0.0 110.243 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 69' ' ' LEU . 35.4 m -104.0 128.95 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 CA-C-O 121.142 0.496 . . . . 0.0 111.213 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -128.96 133.57 47.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.364 0.602 . . . . 0.0 110.837 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.263 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . 0.292 60.3 mtt 70.52 -59.83 0.51 Allowed 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 176.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 72.48 128.47 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 C-N-CA 125.893 1.677 . . . . 0.0 113.322 -167.484 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.3 108.73 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -122.99 110.85 15.89 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -172.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.7 pt -90.16 91.07 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-N 120.074 1.307 . . . . 0.0 109.209 168.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -87.73 105.29 17.28 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 122.049 0.928 . . . . 0.0 108.565 174.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.1 mm -100.93 107.83 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -98.94 97.33 8.52 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.321 0.581 . . . . 0.0 110.591 176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -81.55 98.06 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 170.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -91.74 93.48 8.9 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.772 1.273 . . . . 0.0 108.355 169.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 123.13 49.59 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.103 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 t70 37.54 69.54 0.23 Allowed 'General case' 0 N--CA 1.501 2.123 0 N-CA-C 117.494 2.405 . . . . 0.0 117.494 168.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.89 30.51 73.29 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 119.988 2.755 . . . . 0.0 119.988 -171.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -148.37 106.12 3.69 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-N 119.584 1.692 . . . . 0.0 110.83 -174.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -82.74 103.34 12.17 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.928 0.891 . . . . 0.0 111.294 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.3 mt -104.96 100.48 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -98.84 121.28 40.59 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.93 97.5 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.76 107.96 19.62 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 124.014 0.926 . . . . 0.0 111.408 174.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.276 2.5 pp -127.27 130.88 70.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 120.895 -1.128 . . . . 0.0 110.279 176.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -114.55 117.47 31.01 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 123.566 0.746 . . . . 0.0 110.105 -164.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.01 93.14 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-O 121.926 0.87 . . . . 0.0 109.654 -155.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -87.36 65.94 8.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.768 -1.208 . . . . 0.0 113.766 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 t -168.78 156.44 7.67 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-O 121.929 0.871 . . . . 0.0 112.322 -155.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.67 156.33 15.72 Favored Glycine 0 N--CA 1.492 2.375 0 CA-C-O 121.693 0.607 . . . . 0.0 114.171 171.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.363 60.5 mttp 72.27 -48.42 0.68 Allowed 'General case' 0 N--CA 1.506 2.374 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -168.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -56.78 -49.72 74.46 Favored 'General case' 0 CA--C 1.575 1.919 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 162.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.0 tp -54.8 -50.63 68.06 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -48.34 -54.83 12.43 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 166.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -61.68 -46.65 88.8 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.95 79.64 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 169.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 tp -57.63 -40.18 78.61 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 168.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.64 -42.11 95.69 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.85 -36.85 81.05 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-N 121.128 1.786 . . . . 0.0 115.583 166.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.9 mt -66.35 -40.25 89.69 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -44.24 -55.54 4.79 Favored 'General case' 0 N--CA 1.502 2.135 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 155.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -58.9 -52.48 65.58 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.03 72.59 Favored 'General case' 0 CA--C 1.568 1.655 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 167.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tt -54.24 -54.64 37.25 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 171.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.81 74.23 Favored 'General case' 0 CA--C 1.567 1.626 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 171.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -59.38 -33.12 70.8 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 117.074 2.25 . . . . 0.0 117.074 173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.14 75.29 Favored 'General case' 0 CA--C 1.566 1.595 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 168.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.87 70.19 1.29 Allowed Glycine 0 N--CA 1.491 2.346 0 CA-C-N 119.952 1.251 . . . . 0.0 115.166 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.98 142.24 43.37 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -164.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 60.6 mtt85 -86.41 -44.83 11.71 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.13 100.48 6.57 Favored 'General case' 0 CA--C 1.565 1.531 0 CA-C-N 119.628 1.104 . . . . 0.0 108.809 -174.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.8 t -108.92 115.24 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.25 -1.531 . . . . 0.0 108.56 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -107.21 98.37 8.01 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 123.585 0.754 . . . . 0.0 110.817 -172.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.2 mp -92.5 109.16 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -113.39 109.82 19.32 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . 0.279 0.1 OUTLIER -98.12 112.67 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 170.612 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -83.67 97.13 8.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.959 -0.463 . . . . 0.0 110.778 173.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.16 155.92 17.69 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 122.397 1.094 . . . . 0.0 113.864 -174.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.05 -43.97 32.51 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -123.04 157.75 32.07 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 122.311 1.053 . . . . 0.0 111.67 -175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.9 p30 -51.72 -51.11 58.57 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.652 2.094 . . . . 0.0 116.652 161.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -56.17 -33.43 65.25 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 169.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -64.3 -56.87 11.57 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-N 120.137 1.335 . . . . 0.0 113.632 161.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.76 51.06 Favored 'General case' 0 CA--C 1.567 1.611 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -50.56 73.36 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 171.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . 0.25 8.5 pt-20 -72.94 -32.57 65.36 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 172.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.28 -39.66 95.2 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 165.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.0 tp -48.28 -54.9 12.03 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 159.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -45.4 93.33 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 173.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 tp -54.04 -49.24 69.42 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 116.444 2.016 . . . . 0.0 116.444 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 66.5 mt -63.55 -48.37 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 CA-C-N 119.456 1.025 . . . . 0.0 111.952 171.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.42 -46.39 66.32 Favored 'General case' 0 CA--C 1.572 1.797 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 171.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -50.32 -51.48 44.99 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 165.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tp -55.89 -49.8 72.39 Favored 'General case' 0 CA--C 1.572 1.809 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 90' ' ' VAL . 73.3 mt -64.45 -41.25 96.65 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 174.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -59.44 -45.13 92.45 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 166.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -56.68 -48.11 78.38 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 164.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.36 -47.0 87.85 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 115.775 1.769 . . . . 0.0 115.775 174.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.72 72.8 0.82 Allowed Glycine 0 N--CA 1.488 2.135 0 CA-C-N 119.294 0.952 . . . . 0.0 114.426 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -132.74 130.92 40.62 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 123.095 0.558 . . . . 0.0 110.613 -176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -81.32 -48.71 11.62 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -93.75 83.77 4.49 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.603 1.092 . . . . 0.0 109.709 -164.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.8 mt -97.21 95.28 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -168.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -88.38 96.27 10.53 Favored 'General case' 0 CA--C 1.569 1.677 0 C-N-CA 124.466 1.107 . . . . 0.0 111.159 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.3 122.23 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 123.697 0.799 . . . . 0.0 110.372 -173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.0 ttt85 -124.59 117.86 25.26 Favored 'General case' 0 CA--C 1.565 1.528 0 O-C-N 121.478 -0.764 . . . . 0.0 109.342 161.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.43 97.68 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 165.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -91.88 73.84 5.68 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 123.896 0.878 . . . . 0.0 110.471 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.14 -103.81 1.64 Allowed Glycine 0 N--CA 1.491 2.306 0 O-C-N 121.525 -0.735 . . . . 0.0 113.836 -167.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.2 p -102.13 -15.43 16.7 Favored 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 167.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -67.64 113.04 5.12 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-N 119.973 1.26 . . . . 0.0 111.629 169.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.0 t -100.76 98.82 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -96.75 100.73 12.26 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.285 1.034 . . . . 0.0 108.763 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.7 mt -112.3 105.36 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -100.92 118.49 37.06 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.363 0.665 . . . . 0.0 110.555 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 69' ' ' LEU . 31.2 m -101.34 131.52 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-O 122.209 1.004 . . . . 0.0 111.988 177.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -122.78 153.7 39.17 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 122.651 1.215 . . . . 0.0 110.506 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -172.621 . . . . . . . . 0 0 . 1 stop_ save_