data_6ovc_residue ############################ # Computer software used # ############################ 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 6ovc _Structure_validation_residue.Date_analyzed 2019-05-17 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 119.437 -0.316 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.26 141.15 55.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.471 0.653 . . . . 0.0 111.864 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -151.04 174.51 13.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.82 2.048 . . . . 0.0 109.246 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.87 -23.18 65.98 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.792 -1.192 . . . . 0.0 112.64 169.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -73.11 -19.47 61.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.498 1.119 . . . . 0.0 112.387 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.05 -21.53 63.16 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.288 0.949 . . . . 0.0 113.127 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -74.37 -9.05 58.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.637 1.175 . . . . 0.0 112.846 170.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -109.72 -7.52 15.06 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.469 1.907 . . . . 0.0 112.13 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.2 m -94.71 -56.21 2.86 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.129 1.372 . . . . 0.0 111.379 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.31 -26.38 64.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.39 1.476 . . . . 0.0 111.049 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.79 -2.11 28.29 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.52 1.928 . . . . 0.0 114.008 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -91.85 -37.44 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.615 1.166 . . . . 0.0 110.532 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.8 mt -99.16 -36.2 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.717 -166.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.8 p -65.84 -23.62 66.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.517 1.053 . . . . 0.0 113.114 170.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -88.84 -30.31 19.03 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 0.0 112.21 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -82.9 -27.81 30.4 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.007 0.821 . . . . 0.0 113.188 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.06 -25.5 67.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.628 0.771 . . . . 0.0 111.543 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.24 -12.17 30.83 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.765 1.626 . . . . 0.0 113.209 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.44 -31.73 69.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.05 1.295 . . . . 0.0 111.663 172.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -103.32 -16.6 15.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 112.845 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 -25.55 14.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.486 1.114 . . . . 0.0 113.506 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.1 p -137.66 -0.57 2.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.625 1.17 . . . . 0.0 114.141 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.88 0.79 89.87 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.544 1.069 . . . . 0.0 115.495 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.26 105.42 15.92 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.096 1.448 . . . . 0.0 112.331 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 4.08 50.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.821 1.248 . . . . 0.0 114.021 175.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 64.7 143.99 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.34 2.656 . . . . 0.0 114.93 -174.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -131.73 0.11 3.92 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.085 1.354 . . . . 0.0 113.396 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -133.99 109.76 11.83 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.771 1.628 . . . . 0.0 109.077 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.35 141.82 49.14 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.381 2.721 . . . . 0.0 113.626 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -83.22 172.58 12.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.746 -1.115 . . . . 0.0 113.086 -154.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.98 141.94 36.0 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.081 1.324 . . . . 0.0 114.553 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 52.95 -119.37 1.5 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.021 1.728 . . . . 0.0 110.566 -170.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.5 m -74.75 125.85 29.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.283 0.633 . . . . 0.0 109.337 168.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.77 10.16 0.1 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.897 -0.946 . . . . 0.0 115.195 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.98 75.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.842 1.321 . . . . 0.0 111.196 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 m -68.06 -32.36 72.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.16 169.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.9 m -68.36 -35.18 77.35 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.381 0.537 . . . . 0.0 112.094 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -68.95 -42.41 76.74 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.32 1.048 . . . . 0.0 111.475 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.44 -36.45 83.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.019 1.328 . . . . 0.0 112.926 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 -31.78 53.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.151 0.981 . . . . 0.0 112.481 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.66 -32.86 73.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.345 0.658 . . . . 0.0 112.241 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.88 -42.73 97.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.482 0.583 . . . . 0.0 111.111 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.2 m -69.46 -37.77 77.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.083 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.0 mt -69.39 -11.36 60.75 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.69 -18.21 63.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.517 1.127 . . . . 0.0 113.487 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -124.23 -44.26 2.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.683 1.193 . . . . 0.0 112.692 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.24 -33.68 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.236 0.925 . . . . 0.0 112.15 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.37 -43.5 24.84 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 123.721 0.677 . . . . 0.0 111.854 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.05 -28.57 64.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.281 1.032 . . . . 0.0 113.32 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.57 -20.41 77.15 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.136 0.874 . . . . 0.0 113.268 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -94.97 -15.15 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.831 1.252 . . . . 0.0 112.059 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -72.0 -2.63 18.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.238 1.015 . . . . 0.0 113.18 162.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -128.08 0.88 5.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 114.106 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -113.75 -31.67 6.38 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.391 1.077 . . . . 0.0 112.759 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -125.13 8.12 7.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.884 1.274 . . . . 0.0 113.65 -177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.53 -11.17 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -66.87 -34.73 78.44 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.485 -0.759 . . . . 0.0 110.888 167.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.67 -25.63 41.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.174 0.99 . . . . 0.0 112.637 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -70.44 -39.18 74.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.938 0.79 . . . . 0.0 111.128 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -68.13 -28.74 67.57 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.184 0.994 . . . . 0.0 112.262 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -6.19 48.07 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.371 0.986 . . . . 0.0 114.334 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 mtm -133.8 16.78 3.9 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.262 1.825 . . . . 0.0 111.949 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.3 tp -140.53 -21.78 0.82 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.885 1.274 . . . . 0.0 112.865 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -82.91 -26.23 31.69 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.58 0.752 . . . . 0.0 111.06 158.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -78.98 -47.32 16.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.867 1.667 . . . . 0.0 111.777 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 mp -84.72 -30.43 24.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.128 0.971 . . . . 0.0 111.855 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t0 46.59 59.95 3.6 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.236 1.814 . . . . 0.0 112.442 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.66 105.8 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.397 1.479 . . . . 0.0 109.763 -169.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.08 14.07 3.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.679 1.592 . . . . 0.0 112.83 -173.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -146.14 166.79 25.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.943 1.697 . . . . 0.0 110.179 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.61 -19.07 60.96 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.128 0.571 . . . . 0.0 112.291 166.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -75.29 -26.91 59.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.331 1.053 . . . . 0.0 112.556 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.16 2.79 14.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.834 1.254 . . . . 0.0 112.718 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -124.93 -41.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.409 1.883 . . . . 0.0 111.413 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -72.64 -22.73 60.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.261 1.024 . . . . 0.0 112.405 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.0 m -71.66 -22.85 61.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.361 1.064 . . . . 0.0 112.85 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.26 -5.9 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 113.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 m -71.25 -19.82 62.31 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.823 0.738 . . . . 0.0 112.826 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -75.96 -36.9 59.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.376 1.07 . . . . 0.0 111.602 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.79 -40.47 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.568 1.147 . . . . 0.0 111.53 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 mmt -75.8 -11.88 60.07 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -171.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -57.73 -40.38 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.476 1.111 . . . . 0.0 109.843 170.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -86.99 -18.07 31.56 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.461 1.504 . . . . 0.0 112.912 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.5 t -77.8 -33.18 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 111.116 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.84 -81.87 0.2 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.835 0.854 . . . . 0.0 111.741 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.0 t 53.25 -103.17 0.16 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.817 1.247 . . . . 0.0 110.682 -157.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.55 -28.34 58.99 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.123 0.874 . . . . 0.0 112.606 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.22 4.61 12.56 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 126.468 1.985 . . . . 0.0 115.599 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t 61.87 128.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 128.192 2.597 . . . . 0.0 112.841 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -81.65 -2.7 51.28 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.044 1.338 . . . . 0.0 112.821 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -75.37 -14.06 60.44 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.903 -1.123 . . . . 0.0 112.611 165.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m95 63.77 -5.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 116.007 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.87 -19.0 78.26 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.894 1.235 . . . . 0.0 114.675 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -78.68 -24.59 44.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.941 1.297 . . . . 0.0 112.353 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.93 -25.85 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 110.426 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.19 -29.01 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.329 1.451 . . . . 0.0 112.183 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.2 m -71.17 -28.05 63.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.028 0.831 . . . . 0.0 112.368 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.38 -32.31 43.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.992 0.814 . . . . 0.0 112.105 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.37 -38.01 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 124.552 1.141 . . . . 0.0 110.626 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 p -82.96 -21.51 34.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.912 1.285 . . . . 0.0 113.674 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.13 -47.4 71.22 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.575 0.625 . . . . 0.0 110.067 164.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.3 -33.98 87.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.864 0.745 . . . . 0.0 112.799 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.27 -26.12 60.96 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.376 1.088 . . . . 0.0 113.102 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -84.35 -28.15 27.23 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.702 1.201 . . . . 0.0 112.455 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.81 -36.51 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.756 1.222 . . . . 0.0 110.614 169.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.65 69.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.575 1.15 . . . . 0.0 112.22 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -73.66 -31.87 63.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.998 1.319 . . . . 0.0 112.123 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -75.83 -27.28 57.81 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.383 1.073 . . . . 0.0 112.412 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.3 mt -76.39 -25.55 54.67 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.12 0.968 . . . . 0.0 112.154 171.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -85.42 -7.62 58.84 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -70.54 -25.19 62.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.856 0.753 . . . . 0.0 110.861 165.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.1 pt -110.25 12.37 8.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 125.983 1.713 . . . . 0.0 112.967 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 56.51 30.22 16.78 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.158 2.183 . . . . 0.0 115.586 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -82.85 153.67 25.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.768 1.227 . . . . 0.0 111.565 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -145.15 -25.94 0.48 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.456 1.102 . . . . 0.0 113.032 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 70.0 m -74.24 -4.41 35.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.465 1.106 . . . . 0.0 113.0 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 m -95.74 -10.96 27.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.036 1.734 . . . . 0.0 112.627 170.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.48 -23.61 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.578 1.551 . . . . 0.0 110.969 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -60.74 -50.4 85.36 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.539 166.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.02 -12.83 23.8 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.626 2.217 . . . . 0.0 113.451 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 41.3 tp -75.91 -34.75 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 111.415 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.65 -31.99 70.39 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.437 0.695 . . . . 0.0 111.584 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.75 -33.4 46.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.32 1.048 . . . . 0.0 112.48 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 -23.78 67.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.309 1.044 . . . . 0.0 111.717 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.1 mt -88.58 -60.58 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.214 1.406 . . . . 0.0 109.756 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -88.16 -36.42 16.85 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -159.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.23 -26.31 65.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.978 0.808 . . . . 0.0 111.204 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.2 t -86.07 -26.87 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.817 1.647 . . . . 0.0 111.325 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 tp -70.25 -39.24 75.12 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.821 0.848 . . . . 0.0 110.802 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.81 4.08 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.455 1.102 . . . . 0.0 112.731 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -85.09 -37.27 20.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.526 1.131 . . . . 0.0 110.968 164.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 42.0 p -93.79 -17.5 23.05 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.544 1.538 . . . . 0.0 113.187 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.17 50.01 1.6 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.093 2.157 . . . . 0.0 110.026 170.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -66.89 -15.19 63.49 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.04 1.336 . . . . 0.0 114.062 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -129.84 -13.73 4.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.18 1.392 . . . . 0.0 113.128 167.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -84.69 -28.22 26.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.812 1.187 . . . . 0.0 113.738 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.17 -31.79 64.45 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.983 0.811 . . . . 0.0 111.163 165.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 36.6 t -73.6 -34.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.681 1.192 . . . . 0.0 111.408 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.93 -50.66 8.35 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.019 1.328 . . . . 0.0 111.959 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -81.08 -16.64 52.59 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 50.59 57.41 6.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.568 1.547 . . . . 0.0 109.8 -167.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.06 -11.34 54.82 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.841 1.21 . . . . 0.0 115.701 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -81.72 -29.39 32.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.547 1.139 . . . . 0.0 112.713 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -78.11 -34.5 50.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.411 0.684 . . . . 0.0 110.644 165.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.19 77.08 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.066 0.841 . . . . 0.0 113.28 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.018 1.327 . . . . 0.0 111.61 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 69.1 t -69.68 -34.51 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.044 0.938 . . . . 0.0 110.998 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.13 -22.8 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.44 1.096 . . . . 0.0 112.955 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -82.1 -13.9 56.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.245 1.018 . . . . 0.0 113.188 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -129.3 -69.58 0.69 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.439 1.096 . . . . 0.0 112.306 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.8 t60 54.53 23.88 4.93 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.458 1.903 . . . . 0.0 114.745 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.04 -20.51 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -170.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -137.16 -1.67 2.12 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.996 1.318 . . . . 0.0 113.171 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.74 35.67 0.74 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.676 1.191 . . . . 0.0 112.316 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 -18.34 62.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.146 0.979 . . . . 0.0 111.974 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.34 -17.18 59.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.534 1.133 . . . . 0.0 112.441 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 76.67 1.64 72.55 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.414 1.483 . . . . 0.0 115.522 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 60.76 -132.8 49.62 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 119.597 1.698 . . . . 0.0 113.017 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 49.89 -166.0 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.749 2.42 . . . . 0.0 115.51 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.4 87.09 0.1 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.737 2.415 . . . . 0.0 112.626 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.5 145.77 53.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.712 1.205 . . . . 0.0 113.707 -172.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -142.76 153.58 43.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.96 2.104 . . . . 0.0 109.105 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 68.1 t60 56.27 -91.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.865 1.666 . . . . 0.0 113.018 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 62.4 t60 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.627 1.571 . . . . 0.0 110.041 175.074 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' N8J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 119.437 -0.316 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.26 141.15 55.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.471 0.653 . . . . 0.0 111.864 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -151.04 174.51 13.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.82 2.048 . . . . 0.0 109.246 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.87 -23.18 65.98 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.792 -1.192 . . . . 0.0 112.64 169.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -73.11 -19.47 61.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.498 1.119 . . . . 0.0 112.387 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.05 -21.53 63.16 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.288 0.949 . . . . 0.0 113.127 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -74.37 -9.05 58.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.637 1.175 . . . . 0.0 112.846 170.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -109.72 -7.52 15.06 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.469 1.907 . . . . 0.0 112.13 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.2 m -94.71 -56.21 2.86 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.129 1.372 . . . . 0.0 111.379 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.31 -26.38 64.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.39 1.476 . . . . 0.0 111.049 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.79 -2.11 28.29 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.52 1.928 . . . . 0.0 114.008 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -91.85 -37.44 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.615 1.166 . . . . 0.0 110.532 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.8 mt -99.16 -36.2 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.717 -166.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.8 p -65.84 -23.62 66.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.517 1.053 . . . . 0.0 113.114 170.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -88.84 -30.31 19.03 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 0.0 112.21 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -82.9 -27.81 30.4 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.007 0.821 . . . . 0.0 113.188 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.06 -25.5 67.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.628 0.771 . . . . 0.0 111.543 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.24 -12.17 30.83 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.765 1.626 . . . . 0.0 113.209 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.44 -31.73 69.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.05 1.295 . . . . 0.0 111.663 172.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -103.32 -16.6 15.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 112.845 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 -25.55 14.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.486 1.114 . . . . 0.0 113.506 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.1 p -137.66 -0.57 2.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.625 1.17 . . . . 0.0 114.141 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.88 0.79 89.87 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.544 1.069 . . . . 0.0 115.495 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.26 105.42 15.92 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.096 1.448 . . . . 0.0 112.331 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 4.08 50.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.821 1.248 . . . . 0.0 114.021 175.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 64.7 143.99 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.34 2.656 . . . . 0.0 114.93 -174.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -131.73 0.11 3.92 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.085 1.354 . . . . 0.0 113.396 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -133.99 109.76 11.83 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.771 1.628 . . . . 0.0 109.077 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.35 141.82 49.14 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.381 2.721 . . . . 0.0 113.626 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -83.22 172.58 12.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.746 -1.115 . . . . 0.0 113.086 -154.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.98 141.94 36.0 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.081 1.324 . . . . 0.0 114.553 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 52.95 -119.37 1.5 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.021 1.728 . . . . 0.0 110.566 -170.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.5 m -74.75 125.85 29.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.283 0.633 . . . . 0.0 109.337 168.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.77 10.16 0.1 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.897 -0.946 . . . . 0.0 115.195 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.98 75.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.842 1.321 . . . . 0.0 111.196 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 m -68.06 -32.36 72.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.16 169.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.9 m -68.36 -35.18 77.35 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.381 0.537 . . . . 0.0 112.094 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -68.95 -42.41 76.74 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.32 1.048 . . . . 0.0 111.475 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.44 -36.45 83.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.019 1.328 . . . . 0.0 112.926 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 -31.78 53.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.151 0.981 . . . . 0.0 112.481 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.66 -32.86 73.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.345 0.658 . . . . 0.0 112.241 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.88 -42.73 97.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.482 0.583 . . . . 0.0 111.111 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.2 m -69.46 -37.77 77.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.083 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.0 mt -69.39 -11.36 60.75 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.69 -18.21 63.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.517 1.127 . . . . 0.0 113.487 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -124.23 -44.26 2.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.683 1.193 . . . . 0.0 112.692 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.24 -33.68 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.236 0.925 . . . . 0.0 112.15 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.37 -43.5 24.84 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 123.721 0.677 . . . . 0.0 111.854 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.05 -28.57 64.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.281 1.032 . . . . 0.0 113.32 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.57 -20.41 77.15 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.136 0.874 . . . . 0.0 113.268 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -94.97 -15.15 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.831 1.252 . . . . 0.0 112.059 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -72.0 -2.63 18.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.238 1.015 . . . . 0.0 113.18 162.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -128.08 0.88 5.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 114.106 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -113.75 -31.67 6.38 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.391 1.077 . . . . 0.0 112.759 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -125.13 8.12 7.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.884 1.274 . . . . 0.0 113.65 -177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.53 -11.17 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -66.87 -34.73 78.44 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.485 -0.759 . . . . 0.0 110.888 167.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.67 -25.63 41.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.174 0.99 . . . . 0.0 112.637 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -70.44 -39.18 74.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.938 0.79 . . . . 0.0 111.128 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -68.13 -28.74 67.57 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.184 0.994 . . . . 0.0 112.262 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -6.19 48.07 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.371 0.986 . . . . 0.0 114.334 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 mtm -133.8 16.78 3.9 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.262 1.825 . . . . 0.0 111.949 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.3 tp -140.53 -21.78 0.82 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.885 1.274 . . . . 0.0 112.865 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -82.91 -26.23 31.69 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.58 0.752 . . . . 0.0 111.06 158.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -78.98 -47.32 16.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.867 1.667 . . . . 0.0 111.777 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 mp -84.72 -30.43 24.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.128 0.971 . . . . 0.0 111.855 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t0 46.59 59.95 3.6 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.236 1.814 . . . . 0.0 112.442 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.66 105.8 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.397 1.479 . . . . 0.0 109.763 -169.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.08 14.07 3.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.679 1.592 . . . . 0.0 112.83 -173.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -146.14 166.79 25.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.943 1.697 . . . . 0.0 110.179 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.61 -19.07 60.96 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.128 0.571 . . . . 0.0 112.291 166.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -75.29 -26.91 59.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.331 1.053 . . . . 0.0 112.556 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.16 2.79 14.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.834 1.254 . . . . 0.0 112.718 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -124.93 -41.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.409 1.883 . . . . 0.0 111.413 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -72.64 -22.73 60.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.261 1.024 . . . . 0.0 112.405 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.0 m -71.66 -22.85 61.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.361 1.064 . . . . 0.0 112.85 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.26 -5.9 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 113.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 m -71.25 -19.82 62.31 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.823 0.738 . . . . 0.0 112.826 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -75.96 -36.9 59.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.376 1.07 . . . . 0.0 111.602 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.79 -40.47 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.568 1.147 . . . . 0.0 111.53 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 mmt -75.8 -11.88 60.07 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -171.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -57.73 -40.38 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.476 1.111 . . . . 0.0 109.843 170.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -86.99 -18.07 31.56 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.461 1.504 . . . . 0.0 112.912 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.5 t -77.8 -33.18 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 111.116 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.84 -81.87 0.2 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.835 0.854 . . . . 0.0 111.741 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.0 t 53.25 -103.17 0.16 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.817 1.247 . . . . 0.0 110.682 -157.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.55 -28.34 58.99 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.123 0.874 . . . . 0.0 112.606 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.22 4.61 12.56 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 126.468 1.985 . . . . 0.0 115.599 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t 61.87 128.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 128.192 2.597 . . . . 0.0 112.841 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -81.65 -2.7 51.28 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.044 1.338 . . . . 0.0 112.821 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -75.37 -14.06 60.44 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.903 -1.123 . . . . 0.0 112.611 165.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m95 63.77 -5.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 116.007 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.87 -19.0 78.26 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.894 1.235 . . . . 0.0 114.675 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -78.68 -24.59 44.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.941 1.297 . . . . 0.0 112.353 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.93 -25.85 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 110.426 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.19 -29.01 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.329 1.451 . . . . 0.0 112.183 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.2 m -71.17 -28.05 63.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.028 0.831 . . . . 0.0 112.368 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.38 -32.31 43.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.992 0.814 . . . . 0.0 112.105 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.37 -38.01 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 124.552 1.141 . . . . 0.0 110.626 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 p -82.96 -21.51 34.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.912 1.285 . . . . 0.0 113.674 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.13 -47.4 71.22 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.575 0.625 . . . . 0.0 110.067 164.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.3 -33.98 87.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.864 0.745 . . . . 0.0 112.799 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.27 -26.12 60.96 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.376 1.088 . . . . 0.0 113.102 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -84.35 -28.15 27.23 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.702 1.201 . . . . 0.0 112.455 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.81 -36.51 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.756 1.222 . . . . 0.0 110.614 169.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.65 69.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.575 1.15 . . . . 0.0 112.22 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -73.66 -31.87 63.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.998 1.319 . . . . 0.0 112.123 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -75.83 -27.28 57.81 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.383 1.073 . . . . 0.0 112.412 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.3 mt -76.39 -25.55 54.67 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.12 0.968 . . . . 0.0 112.154 171.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -85.42 -7.62 58.84 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -70.54 -25.19 62.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.856 0.753 . . . . 0.0 110.861 165.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.1 pt -110.25 12.37 8.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 125.983 1.713 . . . . 0.0 112.967 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 56.51 30.22 16.78 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.158 2.183 . . . . 0.0 115.586 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -82.85 153.67 25.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.768 1.227 . . . . 0.0 111.565 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -145.15 -25.94 0.48 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.456 1.102 . . . . 0.0 113.032 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 70.0 m -74.24 -4.41 35.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.465 1.106 . . . . 0.0 113.0 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 m -95.74 -10.96 27.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.036 1.734 . . . . 0.0 112.627 170.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.48 -23.61 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.578 1.551 . . . . 0.0 110.969 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -60.74 -50.4 85.36 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.539 166.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.02 -12.83 23.8 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.626 2.217 . . . . 0.0 113.451 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 41.3 tp -75.91 -34.75 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 111.415 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.65 -31.99 70.39 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.437 0.695 . . . . 0.0 111.584 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.75 -33.4 46.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.32 1.048 . . . . 0.0 112.48 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 -23.78 67.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.309 1.044 . . . . 0.0 111.717 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.1 mt -88.58 -60.58 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.214 1.406 . . . . 0.0 109.756 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -88.16 -36.42 16.85 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -159.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.23 -26.31 65.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.978 0.808 . . . . 0.0 111.204 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.2 t -86.07 -26.87 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.817 1.647 . . . . 0.0 111.325 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 tp -70.25 -39.24 75.12 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.821 0.848 . . . . 0.0 110.802 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.81 4.08 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.455 1.102 . . . . 0.0 112.731 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -85.09 -37.27 20.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.526 1.131 . . . . 0.0 110.968 164.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 42.0 p -93.79 -17.5 23.05 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.544 1.538 . . . . 0.0 113.187 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.17 50.01 1.6 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.093 2.157 . . . . 0.0 110.026 170.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -66.89 -15.19 63.49 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.04 1.336 . . . . 0.0 114.062 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -129.84 -13.73 4.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.18 1.392 . . . . 0.0 113.128 167.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -84.69 -28.22 26.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.812 1.187 . . . . 0.0 113.738 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.17 -31.79 64.45 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.983 0.811 . . . . 0.0 111.163 165.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 36.6 t -73.6 -34.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.681 1.192 . . . . 0.0 111.408 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.93 -50.66 8.35 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.019 1.328 . . . . 0.0 111.959 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -81.08 -16.64 52.59 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 50.59 57.41 6.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.568 1.547 . . . . 0.0 109.8 -167.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.06 -11.34 54.82 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.841 1.21 . . . . 0.0 115.701 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -81.72 -29.39 32.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.547 1.139 . . . . 0.0 112.713 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -78.11 -34.5 50.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.411 0.684 . . . . 0.0 110.644 165.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.19 77.08 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.066 0.841 . . . . 0.0 113.28 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.018 1.327 . . . . 0.0 111.61 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 69.1 t -69.68 -34.51 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.044 0.938 . . . . 0.0 110.998 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.13 -22.8 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.44 1.096 . . . . 0.0 112.955 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -82.1 -13.9 56.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.245 1.018 . . . . 0.0 113.188 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -129.3 -69.58 0.69 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.439 1.096 . . . . 0.0 112.306 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.8 t60 54.53 23.88 4.93 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.458 1.903 . . . . 0.0 114.745 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.04 -20.51 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -170.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -137.16 -1.67 2.12 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.996 1.318 . . . . 0.0 113.171 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.74 35.67 0.74 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.676 1.191 . . . . 0.0 112.316 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 -18.34 62.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.146 0.979 . . . . 0.0 111.974 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.34 -17.18 59.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.534 1.133 . . . . 0.0 112.441 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 76.67 1.64 72.55 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.414 1.483 . . . . 0.0 115.522 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 60.76 -132.8 49.62 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 119.597 1.698 . . . . 0.0 113.017 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 49.89 -166.0 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.749 2.42 . . . . 0.0 115.51 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.4 87.09 0.1 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.737 2.415 . . . . 0.0 112.626 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.5 145.77 53.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.712 1.205 . . . . 0.0 113.707 -172.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -142.76 153.58 43.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.96 2.104 . . . . 0.0 109.105 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 68.1 t60 56.27 -91.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.865 1.666 . . . . 0.0 113.018 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 62.4 t60 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.627 1.571 . . . . 0.0 110.041 175.074 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' N8J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 119.437 -0.316 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.26 141.15 55.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.471 0.653 . . . . 0.0 111.864 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -151.04 174.51 13.08 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.82 2.048 . . . . 0.0 109.246 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -66.87 -23.18 65.98 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 120.792 -1.192 . . . . 0.0 112.64 169.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -73.11 -19.47 61.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.498 1.119 . . . . 0.0 112.387 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -70.05 -21.53 63.16 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.288 0.949 . . . . 0.0 113.127 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -74.37 -9.05 58.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.637 1.175 . . . . 0.0 112.846 170.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -109.72 -7.52 15.06 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.469 1.907 . . . . 0.0 112.13 171.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.2 m -94.71 -56.21 2.86 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.129 1.372 . . . . 0.0 111.379 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.31 -26.38 64.69 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.39 1.476 . . . . 0.0 111.049 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.79 -2.11 28.29 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.52 1.928 . . . . 0.0 114.008 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -91.85 -37.44 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.615 1.166 . . . . 0.0 110.532 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.8 mt -99.16 -36.2 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.717 -166.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 94.8 p -65.84 -23.62 66.72 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.517 1.053 . . . . 0.0 113.114 170.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -88.84 -30.31 19.03 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.63 1.172 . . . . 0.0 112.21 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -82.9 -27.81 30.4 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.007 0.821 . . . . 0.0 113.188 176.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.06 -25.5 67.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.628 0.771 . . . . 0.0 111.543 168.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -93.24 -12.17 30.83 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.765 1.626 . . . . 0.0 113.209 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.44 -31.73 69.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 120.05 1.295 . . . . 0.0 111.663 172.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -103.32 -16.6 15.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.993 0.917 . . . . 0.0 112.845 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.94 -25.55 14.55 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.486 1.114 . . . . 0.0 113.506 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.1 p -137.66 -0.57 2.13 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.625 1.17 . . . . 0.0 114.141 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.88 0.79 89.87 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.544 1.069 . . . . 0.0 115.495 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.26 105.42 15.92 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.096 1.448 . . . . 0.0 112.331 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.36 4.08 50.11 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.821 1.248 . . . . 0.0 114.021 175.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.0 t70 64.7 143.99 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.34 2.656 . . . . 0.0 114.93 -174.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -131.73 0.11 3.92 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.085 1.354 . . . . 0.0 113.396 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -133.99 109.76 11.83 Favored Pre-proline 0 CA--C 1.54 0.559 0 C-N-CA 125.771 1.628 . . . . 0.0 109.077 -176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.35 141.82 49.14 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.381 2.721 . . . . 0.0 113.626 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -83.22 172.58 12.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 114.746 -1.115 . . . . 0.0 113.086 -154.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.98 141.94 36.0 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.081 1.324 . . . . 0.0 114.553 -168.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 52.95 -119.37 1.5 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.021 1.728 . . . . 0.0 110.566 -170.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.5 m -74.75 125.85 29.64 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.283 0.633 . . . . 0.0 109.337 168.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.77 10.16 0.1 OUTLIER Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.897 -0.946 . . . . 0.0 115.195 -173.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.98 75.92 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.842 1.321 . . . . 0.0 111.196 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 m -68.06 -32.36 72.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.254 1.022 . . . . 0.0 111.16 169.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.9 m -68.36 -35.18 77.35 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.381 0.537 . . . . 0.0 112.094 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -68.95 -42.41 76.74 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.32 1.048 . . . . 0.0 111.475 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.44 -36.45 83.77 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.019 1.328 . . . . 0.0 112.926 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.52 -31.78 53.64 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.151 0.981 . . . . 0.0 112.481 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -68.66 -32.86 73.0 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.345 0.658 . . . . 0.0 112.241 174.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.88 -42.73 97.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 118.482 0.583 . . . . 0.0 111.111 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.2 m -69.46 -37.77 77.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.475 1.11 . . . . 0.0 112.083 -176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.0 mt -69.39 -11.36 60.75 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.855 1.262 . . . . 0.0 114.052 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.69 -18.21 63.76 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.517 1.127 . . . . 0.0 113.487 172.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -124.23 -44.26 2.03 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.683 1.193 . . . . 0.0 112.692 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.24 -33.68 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.236 0.925 . . . . 0.0 112.15 -176.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.37 -43.5 24.84 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 123.721 0.677 . . . . 0.0 111.854 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.05 -28.57 64.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.281 1.032 . . . . 0.0 113.32 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.57 -20.41 77.15 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.136 0.874 . . . . 0.0 113.268 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.4 t -94.97 -15.15 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.831 1.252 . . . . 0.0 112.059 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -72.0 -2.63 18.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.238 1.015 . . . . 0.0 113.18 162.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -128.08 0.88 5.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.958 1.303 . . . . 0.0 114.106 174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -113.75 -31.67 6.38 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.391 1.077 . . . . 0.0 112.759 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -125.13 8.12 7.94 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.884 1.274 . . . . 0.0 113.65 -177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -75.53 -11.17 59.97 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -66.87 -34.73 78.44 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.485 -0.759 . . . . 0.0 110.888 167.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.67 -25.63 41.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.174 0.99 . . . . 0.0 112.637 173.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.2 m-30 -70.44 -39.18 74.51 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.938 0.79 . . . . 0.0 111.128 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -68.13 -28.74 67.57 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.184 0.994 . . . . 0.0 112.262 173.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.54 -6.19 48.07 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.371 0.986 . . . . 0.0 114.334 170.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 mtm -133.8 16.78 3.9 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.262 1.825 . . . . 0.0 111.949 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.3 tp -140.53 -21.78 0.82 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.885 1.274 . . . . 0.0 112.865 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -82.91 -26.23 31.69 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.58 0.752 . . . . 0.0 111.06 158.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -78.98 -47.32 16.51 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.867 1.667 . . . . 0.0 111.777 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.4 mp -84.72 -30.43 24.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.128 0.971 . . . . 0.0 111.855 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 t0 46.59 59.95 3.6 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.236 1.814 . . . . 0.0 112.442 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.66 105.8 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.397 1.479 . . . . 0.0 109.763 -169.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -137.08 14.07 3.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.679 1.592 . . . . 0.0 112.83 -173.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -146.14 166.79 25.12 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.943 1.697 . . . . 0.0 110.179 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.61 -19.07 60.96 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.128 0.571 . . . . 0.0 112.291 166.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -75.29 -26.91 59.11 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.331 1.053 . . . . 0.0 112.556 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.16 2.79 14.3 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.834 1.254 . . . . 0.0 112.718 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -124.93 -41.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 126.409 1.883 . . . . 0.0 111.413 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -72.64 -22.73 60.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.261 1.024 . . . . 0.0 112.405 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.0 m -71.66 -22.85 61.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.361 1.064 . . . . 0.0 112.85 170.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.2 mt -85.26 -5.9 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.614 1.166 . . . . 0.0 113.223 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 m -71.25 -19.82 62.31 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.823 0.738 . . . . 0.0 112.826 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -75.96 -36.9 59.13 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.376 1.07 . . . . 0.0 111.602 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.79 -40.47 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.568 1.147 . . . . 0.0 111.53 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 mmt -75.8 -11.88 60.07 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -171.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 82.6 mt -57.73 -40.38 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 124.476 1.111 . . . . 0.0 109.843 170.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -86.99 -18.07 31.56 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.461 1.504 . . . . 0.0 112.912 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.5 t -77.8 -33.18 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 111.116 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.84 -81.87 0.2 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.835 0.854 . . . . 0.0 111.741 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.0 t 53.25 -103.17 0.16 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.817 1.247 . . . . 0.0 110.682 -157.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.55 -28.34 58.99 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.123 0.874 . . . . 0.0 112.606 172.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 64.22 4.61 12.56 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 126.468 1.985 . . . . 0.0 115.599 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t 61.87 128.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 128.192 2.597 . . . . 0.0 112.841 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -81.65 -2.7 51.28 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.044 1.338 . . . . 0.0 112.821 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -75.37 -14.06 60.44 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.903 -1.123 . . . . 0.0 112.611 165.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.1 m95 63.77 -5.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 116.007 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.87 -19.0 78.26 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.894 1.235 . . . . 0.0 114.675 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -78.68 -24.59 44.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.941 1.297 . . . . 0.0 112.353 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.93 -25.85 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 110.426 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.19 -29.01 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 125.329 1.451 . . . . 0.0 112.183 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.2 m -71.17 -28.05 63.97 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.028 0.831 . . . . 0.0 112.368 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.8 tp -79.38 -32.31 43.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.992 0.814 . . . . 0.0 112.105 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.37 -38.01 72.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 124.552 1.141 . . . . 0.0 110.626 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.2 p -82.96 -21.51 34.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.912 1.285 . . . . 0.0 113.674 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -67.13 -47.4 71.22 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.575 0.625 . . . . 0.0 110.067 164.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.3 -33.98 87.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.864 0.745 . . . . 0.0 112.799 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.27 -26.12 60.96 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.376 1.088 . . . . 0.0 113.102 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -84.35 -28.15 27.23 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.702 1.201 . . . . 0.0 112.455 174.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.81 -36.51 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.756 1.222 . . . . 0.0 110.614 169.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.65 69.86 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.575 1.15 . . . . 0.0 112.22 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -73.66 -31.87 63.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.998 1.319 . . . . 0.0 112.123 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -75.83 -27.28 57.81 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.383 1.073 . . . . 0.0 112.412 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.3 mt -76.39 -25.55 54.67 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.12 0.968 . . . . 0.0 112.154 171.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -85.42 -7.62 58.84 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 169.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -70.54 -25.19 62.99 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 118.856 0.753 . . . . 0.0 110.861 165.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 47.1 pt -110.25 12.37 8.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 125.983 1.713 . . . . 0.0 112.967 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 56.51 30.22 16.78 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.158 2.183 . . . . 0.0 115.586 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -82.85 153.67 25.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.768 1.227 . . . . 0.0 111.565 170.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -145.15 -25.94 0.48 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.456 1.102 . . . . 0.0 113.032 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 70.0 m -74.24 -4.41 35.87 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.465 1.106 . . . . 0.0 113.0 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 m -95.74 -10.96 27.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.036 1.734 . . . . 0.0 112.627 170.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.48 -23.61 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 C-N-CA 125.578 1.551 . . . . 0.0 110.969 -178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -60.74 -50.4 85.36 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.539 166.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.02 -12.83 23.8 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.626 2.217 . . . . 0.0 113.451 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 41.3 tp -75.91 -34.75 59.93 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 119.451 1.023 . . . . 0.0 111.415 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.65 -31.99 70.39 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.437 0.695 . . . . 0.0 111.584 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.75 -33.4 46.55 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.32 1.048 . . . . 0.0 112.48 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 -23.78 67.57 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.309 1.044 . . . . 0.0 111.717 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.1 mt -88.58 -60.58 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.214 1.406 . . . . 0.0 109.756 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -88.16 -36.42 16.85 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -159.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.23 -26.31 65.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.978 0.808 . . . . 0.0 111.204 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 22.2 t -86.07 -26.87 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.817 1.647 . . . . 0.0 111.325 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.4 tp -70.25 -39.24 75.12 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.821 0.848 . . . . 0.0 110.802 173.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.81 4.08 3.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.455 1.102 . . . . 0.0 112.731 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 71.5 ttt-85 -85.09 -37.27 20.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.526 1.131 . . . . 0.0 110.968 164.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 42.0 p -93.79 -17.5 23.05 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.544 1.538 . . . . 0.0 113.187 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.17 50.01 1.6 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.093 2.157 . . . . 0.0 110.026 170.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 8.9 ptm85 -66.89 -15.19 63.49 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.04 1.336 . . . . 0.0 114.062 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -129.84 -13.73 4.11 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.18 1.392 . . . . 0.0 113.128 167.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -84.69 -28.22 26.51 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.812 1.187 . . . . 0.0 113.738 -172.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.17 -31.79 64.45 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.983 0.811 . . . . 0.0 111.163 165.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 36.6 t -73.6 -34.5 42.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.681 1.192 . . . . 0.0 111.408 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -82.93 -50.66 8.35 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.019 1.328 . . . . 0.0 111.959 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -81.08 -16.64 52.59 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? 50.59 57.41 6.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.568 1.547 . . . . 0.0 109.8 -167.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.06 -11.34 54.82 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.841 1.21 . . . . 0.0 115.701 -166.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -81.72 -29.39 32.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.547 1.139 . . . . 0.0 112.713 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -78.11 -34.5 50.03 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.411 0.684 . . . . 0.0 110.644 165.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.14 -30.19 77.08 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.066 0.841 . . . . 0.0 113.28 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -66.71 -43.18 85.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.018 1.327 . . . . 0.0 111.61 171.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 69.1 t -69.68 -34.51 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.044 0.938 . . . . 0.0 110.998 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.13 -22.8 55.04 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.44 1.096 . . . . 0.0 112.955 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -82.1 -13.9 56.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.245 1.018 . . . . 0.0 113.188 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -129.3 -69.58 0.69 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.439 1.096 . . . . 0.0 112.306 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 9.8 t60 54.53 23.88 4.93 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.458 1.903 . . . . 0.0 114.745 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.04 -20.51 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -170.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -137.16 -1.67 2.12 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.996 1.318 . . . . 0.0 113.171 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -87.74 35.67 0.74 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.676 1.191 . . . . 0.0 112.316 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 -18.34 62.28 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.146 0.979 . . . . 0.0 111.974 175.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.34 -17.18 59.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.534 1.133 . . . . 0.0 112.441 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 76.67 1.64 72.55 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.414 1.483 . . . . 0.0 115.522 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 60.76 -132.8 49.62 Favored Glycine 0 CA--C 1.536 1.377 0 CA-C-N 119.597 1.698 . . . . 0.0 113.017 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 49.89 -166.0 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 127.749 2.42 . . . . 0.0 115.51 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.4 87.09 0.1 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.737 2.415 . . . . 0.0 112.626 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -62.5 145.77 53.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.712 1.205 . . . . 0.0 113.707 -172.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -142.76 153.58 43.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.96 2.104 . . . . 0.0 109.105 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 68.1 t60 56.27 -91.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.865 1.666 . . . . 0.0 113.018 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' HIS . . . . . . . . . . . . . 62.4 t60 . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.627 1.571 . . . . 0.0 110.041 175.074 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' N8J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_