data_1wh2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1wh2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.24 116.35 28.88 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 124.729 1.212 . . . . 0.0 107.842 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.49 2.14 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.11 167.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -112.24 -61.74 1.67 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 124.477 1.111 . . . . 0.0 108.831 -166.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 153.81 35.46 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.971 0.805 . . . . 0.0 110.615 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.88 99.62 9.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.9 -0.72 4.76 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -125.26 118.22 25.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.691 1.132 . . . . 0.0 109.829 -169.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -90.76 157.68 17.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.522 1.929 . . . . 0.0 108.613 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -145.03 154.38 42.45 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.691 0.396 . . . . 0.0 110.079 166.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 2.2 tttt -96.14 121.81 38.31 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.76 1.624 . . . . 0.0 108.872 172.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -78.54 174.11 6.58 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.104 1.362 . . . . 0.0 111.343 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -84.34 -3.29 10.14 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.87 2.38 . . . . 0.0 113.603 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -25.04 60.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.596 1.089 . . . . 0.0 109.487 160.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.37 -2.39 26.56 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.017 2.246 . . . . 0.0 112.438 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.8 143.2 28.42 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 119.326 1.563 . . . . 0.0 109.285 -171.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.5 t -81.72 130.03 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 168.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -113.66 176.1 5.17 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.078 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.41 -156.49 27.0 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 121.977 -0.452 . . . . 0.0 112.461 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.26 171.45 68.03 Favored 'Cis proline' 0 N--CA 1.454 -0.815 0 CA-C-N 118.244 1.022 . . . . 0.0 112.258 9.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -131.8 162.1 31.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.8 2.04 . . . . 0.0 108.187 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -86.67 161.65 18.34 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.86 -29.53 70.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.05 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.9 m -58.02 -42.7 85.85 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.234 1.834 . . . . 0.0 110.775 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -70.15 -55.58 9.02 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.78 -41.6 82.38 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.727 0.411 . . . . 0.0 110.75 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -56.94 -58.21 9.15 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.964 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.0 72.84 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 118.904 0.774 . . . . 0.0 111.271 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -65.51 -41.16 93.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.124 0.969 . . . . 0.0 111.532 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -65.31 -20.71 66.52 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.145 -0.972 . . . . 0.0 112.045 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.62 -6.37 40.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.455 2.302 . . . . 0.0 111.565 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.83 9.97 13.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.153 1.781 . . . . 0.0 114.876 -173.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 57.74 38.61 27.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 113.653 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -82.35 -24.05 34.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.012 -1.055 . . . . 0.0 111.837 167.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -134.08 176.57 8.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 110.537 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.5 p -121.12 163.95 17.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.802 1.241 . . . . 0.0 108.399 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -54.66 -37.1 65.3 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.358 -0.839 . . . . 0.0 113.007 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -85.88 69.14 10.54 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 108.337 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -133.04 98.5 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 126.449 1.9 . . . . 0.0 107.769 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -87.62 161.66 17.57 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.157 -0.965 . . . . 0.0 111.561 170.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 141.27 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 127.55 2.34 . . . . 0.0 108.005 -173.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.429 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 13.0 p90 -132.52 157.29 45.06 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.637 1.175 . . . . 0.0 109.243 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 49.2 mtm -79.24 160.13 27.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 122.147 0.975 . . . . 0.0 112.046 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -61.01 97.44 0.06 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.182 2.193 . . . . 0.0 111.94 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.07 0.2 41.43 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 118.712 -1.049 . . . . 0.0 112.538 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.59 172.89 13.03 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 119.1 1.45 . . . . 0.0 108.284 164.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 m -72.27 143.73 48.65 Favored 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 124.273 1.029 . . . . 0.0 109.556 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.466 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 40.9 ttm -58.05 -23.74 55.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.834 0.826 . . . . 0.0 110.993 170.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -89.76 -17.39 28.32 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.531 1.132 . . . . 0.0 113.534 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 p -77.84 2.59 16.75 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.488 1.495 . . . . 0.0 111.031 162.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 123.45 14.89 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.314 -0.867 . . . . 0.0 110.666 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.71 164.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 108.559 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.0 mt -67.72 127.63 33.5 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.4 tp -50.75 -37.53 42.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.745 1.218 . . . . 0.0 111.538 173.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -15.5 61.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.174 -0.954 . . . . 0.0 110.919 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.2 -33.49 14.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.059 -1.026 . . . . 0.0 112.32 169.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.52 -42.42 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.789 1.177 . . . . 0.0 110.146 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.31 -33.06 67.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.687 1.595 . . . . 0.0 113.782 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -85.49 -37.08 20.11 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.123 0.874 . . . . 0.0 110.887 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.59 -52.35 63.75 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 124.763 1.225 . . . . 0.0 109.713 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 172.81 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.239 0.541 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -101.2 98.83 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.501 1.52 . . . . 0.0 109.968 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -89.8 -26.93 20.32 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.927 -164.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.71 -34.74 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.986 0.812 . . . . 0.0 110.864 -168.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -66.23 160.93 23.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.693 0.678 . . . . 0.0 109.231 169.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.16 98.05 8.79 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.36 6.1 5.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -124.82 144.71 50.14 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.71 0.804 . . . . 0.0 110.075 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.0 mt -122.11 158.98 28.1 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 127.434 2.293 . . . . 0.0 107.37 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -147.57 158.9 44.2 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.62 122.55 44.63 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.445 0.698 . . . . 0.0 109.51 171.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 165.72 42.11 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.21 -29.47 46.64 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 124.481 3.454 . . . . 0.0 113.232 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -64.32 -13.57 50.92 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.353 1.061 . . . . 0.0 111.564 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.5 -10.82 67.0 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 126.496 1.998 . . . . 0.0 112.711 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.94 128.3 35.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.11 125.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 153.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -110.35 162.67 14.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.974 0.91 . . . . 0.0 110.975 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.86 -147.44 16.32 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.415 170.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.7 167.99 72.19 Favored 'Cis proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.597 -1.001 . . . . 0.0 112.68 1.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.53 161.26 35.07 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.943 1.697 . . . . 0.0 108.553 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -82.25 155.73 24.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.855 0.862 . . . . 0.0 110.074 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 mt -56.92 -41.87 78.95 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.958 171.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -60.76 -45.55 93.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.021 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.31 -52.27 65.99 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.439 1.018 . . . . 0.0 110.498 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.67 -37.94 71.52 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.066 0.394 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -67.18 -62.16 1.57 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.237 1.015 . . . . 0.0 109.752 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.65 -18.65 62.71 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -173.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -76.82 -50.89 12.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.317 1.047 . . . . 0.0 110.939 168.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -58.47 -40.78 83.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.509 1.049 . . . . 0.0 110.624 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -72.0 -7.31 47.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.111 1.764 . . . . 0.0 112.194 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.93 7.4 16.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.576 1.55 . . . . 0.0 111.639 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.255 61.7 mm-40 60.77 50.85 5.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.849 2.06 . . . . 0.0 114.194 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.07 -12.08 55.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 165.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -126.55 -157.2 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.714 1.143 . . . . 0.0 109.714 -170.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.3 p -137.18 166.61 23.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.791 1.236 . . . . 0.0 109.446 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.64 96.46 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.221 -0.924 . . . . 0.0 110.994 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.21 16.93 0.68 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.099 1.36 . . . . 0.0 112.808 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -72.6 107.82 5.3 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 119.938 -1.726 . . . . 0.0 109.369 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -90.32 159.89 16.41 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.676 -1.265 . . . . 0.0 110.33 168.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 m -140.07 155.68 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.613 1.965 . . . . 0.0 108.129 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -137.59 165.6 25.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.661 0.664 . . . . 0.0 110.04 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.4 mtt -81.24 156.82 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.425 0.631 . . . . 0.0 112.633 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -60.53 118.12 6.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.744 0.818 . . . . 0.0 109.979 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.41 4.32 90.0 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.839 -1.534 . . . . 0.0 113.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.23 166.79 11.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.342 1.571 . . . . 0.0 108.892 164.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.82 151.32 30.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.443 1.897 . . . . 0.0 109.956 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -68.02 -33.03 73.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.39 0.676 . . . . 0.0 111.018 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.44 -14.14 62.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.802 0.841 . . . . 0.0 111.862 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 13.23 26.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.008 1.323 . . . . 0.0 110.523 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.5 160.87 12.85 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.043 0.925 . . . . 0.0 110.525 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.95 155.67 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 127.199 2.199 . . . . 0.0 107.064 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.02 131.13 43.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.63 -31.81 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.117 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.2 p -63.75 -33.98 76.86 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.339 0.972 . . . . 0.0 111.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -51.63 26.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.24 -42.32 65.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.189 0.996 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mp -55.06 -51.89 64.92 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.744 1.217 . . . . 0.0 111.268 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -69.25 -21.76 63.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.583 -0.698 . . . . 0.0 112.736 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -81.16 -8.46 59.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.526 1.13 . . . . 0.0 112.537 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 120.086 1.312 . . . . 0.0 110.729 -175.053 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.237 0.43 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.24 99.93 1.61 Allowed 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.051 0.844 . . . . 0.0 109.463 -174.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.27 -31.69 12.29 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -171.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.03 -2.38 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.989 1.316 . . . . 0.0 112.168 -164.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.8 145.43 49.06 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 96.3 0.31 Allowed 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 125.086 1.354 . . . . 0.0 110.218 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.51 1.85 2.65 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -169.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -129.75 127.76 41.06 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.569 0.748 . . . . 0.0 110.203 -171.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.2 mt -104.47 158.33 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 127.46 2.304 . . . . 0.0 108.736 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 16.1 p90 -149.12 167.41 25.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.575 -0.726 . . . . 0.0 109.431 173.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -108.9 114.33 28.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.941 1.297 . . . . 0.0 111.172 171.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.37 165.89 49.31 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.86 -4.23 15.09 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 124.415 3.41 . . . . 0.0 112.113 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.97 -23.65 67.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 164.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.29 30.6 58.46 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -170.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.6 166.44 10.42 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.773 1.229 . . . . 0.0 107.914 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -117.12 92.62 2.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -67.88 176.42 2.57 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.595 0.712 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.62 -160.29 28.87 Favored Glycine 0 CA--C 1.524 0.631 0 O-C-N 121.562 -0.711 . . . . 0.0 112.877 166.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.95 170.37 70.88 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 CA-C-N 117.94 0.87 . . . . 0.0 112.998 9.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -135.08 151.93 51.2 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.683 1.593 . . . . 0.0 109.882 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 144.59 39.9 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.928 0.891 . . . . 0.0 108.693 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.1 -33.53 69.2 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.582 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -70.77 -34.14 71.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.965 0.802 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.14 -49.16 65.78 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -58.19 -41.06 83.09 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.288 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -60.19 -49.63 76.87 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.872 174.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.97 76.81 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.955 0.798 . . . . 0.0 111.419 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -70.29 -38.59 75.05 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.006 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -47.23 80.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.068 0.947 . . . . 0.0 110.176 170.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.33 -17.59 64.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.008 1.723 . . . . 0.0 111.773 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.56 12.03 35.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.436 1.895 . . . . 0.0 110.916 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 61.22 23.29 13.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.283 2.233 . . . . 0.0 112.903 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -75.37 -0.81 21.13 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.21 155.69 49.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.759 1.163 . . . . 0.0 108.704 -168.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.6 p -79.51 151.33 30.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.828 -162.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -65.48 -3.91 5.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -170.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -140.12 70.69 1.36 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.514 1.926 . . . . 0.0 108.046 157.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.91 117.36 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.21 1.404 . . . . 0.0 109.343 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -95.03 155.69 16.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 120.067 1.303 . . . . 0.0 110.957 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.19 156.17 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 126.074 1.75 . . . . 0.0 108.603 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.459 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 16.3 p90 -129.68 159.01 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mtt -71.61 166.05 22.66 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.2 0.524 . . . . 0.0 110.117 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -61.31 146.63 47.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.345 0.593 . . . . 0.0 110.244 172.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.18 -36.22 1.1 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.557 1.551 . . . . 0.0 114.33 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.99 161.98 6.11 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.812 1.306 . . . . 0.0 111.158 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -86.31 160.6 19.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.773 0.797 . . . . 0.0 109.562 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.459 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 2.1 ttm -73.61 -25.65 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.692 0.797 . . . . 0.0 111.628 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.14 -8.57 32.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.239 0.616 . . . . 0.0 112.048 164.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 12.32 33.14 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.647 1.979 . . . . 0.0 110.643 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.0 166.7 17.47 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.749 -1.219 . . . . 0.0 111.707 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.96 162.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 126.918 2.087 . . . . 0.0 108.175 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.8 mt -73.62 123.9 24.9 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -50.39 -32.88 18.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.996 0.918 . . . . 0.0 111.038 173.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.9 p -71.93 -27.97 63.16 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.759 1.163 . . . . 0.0 112.223 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -47.28 60.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.1 t -62.13 -31.54 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -43.77 79.47 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.688 1.595 . . . . 0.0 111.168 174.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -54.46 16.0 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 124.432 1.093 . . . . 0.0 109.868 173.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.52 74.04 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.044 0.537 . . . . 0.0 111.927 -166.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.235 0.336 0 C-N-CA 124.465 1.106 . . . . 0.0 110.907 -169.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.95 147.38 50.66 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 167.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -128.41 5.66 5.73 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -113.96 -52.12 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.447 0.699 . . . . 0.0 110.294 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -62.78 158.52 18.53 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.768 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.5 mt -91.3 109.22 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.72 -2.27 1.75 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.169 -0.92 . . . . 0.0 113.27 -168.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -125.56 126.7 45.23 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.084 0.954 . . . . 0.0 110.618 -173.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.59 160.26 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.408 1.883 . . . . 0.0 108.435 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -145.02 150.51 37.0 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.669 0.271 . . . . 0.0 110.384 166.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -90.44 117.22 28.97 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 170.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -73.77 174.03 5.46 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.263 0.625 . . . . 0.0 110.17 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.72 -7.44 16.62 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.809 1.673 . . . . 0.0 112.93 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.21 -4.44 58.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.822 1.649 . . . . 0.0 110.127 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.47 14.71 81.86 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.281 0.943 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.53 142.88 27.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.54 129.27 37.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 161.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -106.66 162.45 13.75 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.25 -172.02 21.01 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.402 0.525 . . . . 0.0 112.597 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.22 168.87 68.62 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.016 -1.243 . . . . 0.0 113.148 18.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.77 164.38 27.67 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 127.543 2.337 . . . . 0.0 109.271 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -81.96 155.14 25.38 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 123.638 0.586 . . . . 0.0 110.462 170.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.06 -33.47 75.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.581 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -63.56 -45.83 88.68 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.195 0.907 . . . . 0.0 109.519 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -64.48 -44.24 91.63 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.29 0.95 . . . . 0.0 111.722 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.9 -40.9 90.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.914 0.779 . . . . 0.0 111.301 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -60.32 -59.97 4.57 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.57 1.148 . . . . 0.0 110.003 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.11 65.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.704 0.801 . . . . 0.0 112.045 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.1 -40.88 59.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.111 -0.947 . . . . 0.0 112.372 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.48 -39.75 94.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.422 1.01 . . . . 0.0 109.578 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.71 -50.58 72.72 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.517 1.527 . . . . 0.0 108.631 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.46 15.23 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.604 1.962 . . . . 0.0 114.831 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 65.69 12.98 8.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.221 1.808 . . . . 0.0 114.715 172.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.3 -9.79 58.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -121.53 -173.47 2.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.702 1.137 . . . . 0.0 111.032 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -129.24 168.46 16.17 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.416 0.687 . . . . 0.0 110.147 -167.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -63.5 -26.88 68.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.783 0.802 . . . . 0.0 112.06 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -108.87 28.78 8.1 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.206 1.002 . . . . 0.0 110.199 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -79.34 139.55 37.76 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -132.89 158.36 42.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.025 1.33 . . . . 0.0 110.384 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.82 158.16 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.521 0.729 . . . . 0.0 110.08 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.446 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 9.7 p90 -136.46 155.41 50.03 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.648 1.579 . . . . 0.0 108.092 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.6 mtm -78.94 164.82 24.1 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.508 0.595 . . . . 0.0 111.213 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -58.83 149.96 25.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.69 -21.71 1.2 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-O 117.842 -1.532 . . . . 0.0 115.427 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -75.87 174.37 9.98 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 120.791 2.296 . . . . 0.0 110.145 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.92 144.33 33.47 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.308 1.043 . . . . 0.0 109.715 168.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.446 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 44.6 ttm -61.1 -40.14 92.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.763 0.425 . . . . 0.0 110.116 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -74.61 -12.79 60.54 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.468 -0.77 . . . . 0.0 111.559 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.0 -2.51 30.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.94 166.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 144.84 37.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.811 0.732 . . . . 0.0 110.346 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 m -110.84 164.82 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.796 2.038 . . . . 0.0 108.793 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.22 133.25 50.24 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 120.129 -1.607 . . . . 0.0 109.3 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.17 -28.28 66.46 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.057 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.7 p -67.31 -39.54 85.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 119.597 1.089 . . . . 0.0 112.15 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.2 -49.62 76.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.25 -40.72 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 123.08 0.552 . . . . 0.0 110.598 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -16.37 62.46 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.706 -1.246 . . . . 0.0 113.824 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -87.72 -49.97 6.79 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.915 0.886 . . . . 0.0 109.824 167.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.35 -25.85 66.16 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.478 1.111 . . . . 0.0 111.37 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.237 0.423 0 C-N-CA 125.236 1.414 . . . . 0.0 109.228 174.77 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 105.26 10.24 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -70.29 -31.31 68.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.329 -1.349 . . . . 0.0 112.189 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.88 -35.85 23.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.986 0.812 . . . . 0.0 109.672 -165.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -72.81 141.62 48.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.58 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.58 106.22 12.43 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -140.58 4.53 1.96 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -118.23 119.23 34.06 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 123.433 0.693 . . . . 0.0 109.875 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.31 156.64 18.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 127.354 2.261 . . . . 0.0 108.419 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 17.4 p90 -153.63 165.65 35.27 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 167.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -107.7 113.98 27.63 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.857 0.863 . . . . 0.0 108.723 168.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.65 173.7 0.96 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.955 1.302 . . . . 0.0 108.533 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.92 39.02 0.76 Allowed 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.617 3.545 . . . . 0.0 110.401 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -125.25 -15.73 6.16 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.268 2.227 . . . . 0.0 110.757 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.34 -1.54 76.7 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.371 1.939 . . . . 0.0 114.945 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.51 143.14 29.25 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.627 2.371 . . . . 0.0 110.022 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.84 97.36 3.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -74.29 157.7 35.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.7 -175.88 16.77 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 122.041 -0.412 . . . . 0.0 113.882 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.61 170.87 59.43 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.855 -0.894 . . . . 0.0 112.951 8.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.97 165.51 25.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.589 1.955 . . . . 0.0 110.09 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -80.49 152.73 28.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.705 1.202 . . . . 0.0 109.378 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.14 -32.53 74.26 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.477 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.7 m -60.13 -53.67 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.543 0.61 . . . . 0.0 109.801 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.98 -48.8 80.27 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.691 0.678 . . . . 0.0 109.676 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.62 -44.33 85.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.497 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -62.68 -53.61 51.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.683 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.5 68.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.783 0.72 . . . . 0.0 111.852 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -73.22 -43.21 61.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.464 0.705 . . . . 0.0 111.097 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.45 99.14 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.702 0.683 . . . . 0.0 110.622 174.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.03 -30.39 59.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.721 2.008 . . . . 0.0 110.58 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.6 7.55 45.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.801 1.641 . . . . 0.0 112.527 -175.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 62.97 21.01 12.64 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.072 1.749 . . . . 0.0 112.791 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -75.46 -3.52 34.39 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.004 -1.06 . . . . 0.0 112.644 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.53 171.65 10.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 119.561 1.073 . . . . 0.0 110.115 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -101.91 155.37 18.2 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.067 -165.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -61.1 -9.13 4.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.616 1.566 . . . . 0.0 112.694 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.62 34.12 4.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.663 1.585 . . . . 0.0 111.139 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.72 142.56 48.19 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.232 -0.917 . . . . 0.0 110.5 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -130.06 159.89 35.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 111.752 172.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.33 149.73 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 125.43 1.492 . . . . 0.0 107.807 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 20.0 p90 -127.01 157.1 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 172.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.8 mtm -78.63 169.66 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 110.173 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -62.19 154.2 28.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.337 0.589 . . . . 0.0 111.018 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.76 -24.15 0.4 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.084 1.802 . . . . 0.0 114.275 -176.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.28 173.38 10.28 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 119.055 1.427 . . . . 0.0 111.946 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.7 149.46 25.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.241 1.817 . . . . 0.0 110.311 172.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.455 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 1.6 ttp -64.04 -25.2 68.01 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.651 170.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.84 -8.57 56.15 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.827 -1.17 . . . . 0.0 111.61 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.55 27.8 8.46 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.917 2.087 . . . . 0.0 108.292 173.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.26 131.64 37.31 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.174 1.39 . . . . 0.0 110.604 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.17 161.0 3.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 125.644 1.578 . . . . 0.0 109.877 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.09 125.12 22.76 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.7 tp -51.32 -36.0 40.65 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.907 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -18.1 61.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.844 1.258 . . . . 0.0 112.462 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -79.19 -54.85 5.57 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.402 1.481 . . . . 0.0 107.564 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.6 t -52.26 -40.18 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.251 1.421 . . . . 0.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -44.31 63.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.264 1.425 . . . . 0.0 112.242 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -71.59 -45.98 60.62 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.985 0.914 . . . . 0.0 110.364 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.9 mt -53.93 -50.06 67.28 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.521 0.729 . . . . 0.0 110.507 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.237 0.409 0 C-N-CA 125.038 1.335 . . . . 0.0 111.111 178.134 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.236 0.346 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.92 120.91 21.1 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.873 0.844 . . . . 0.0 110.996 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.03 -27.34 18.69 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.519 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.66 25.98 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.152 0.981 . . . . 0.0 110.285 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 148.32 51.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.526 -1.359 . . . . 0.0 107.41 166.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.11 95.18 4.84 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -137.94 10.12 2.83 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.385 0.674 . . . . 0.0 112.771 -168.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -135.28 155.25 50.93 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.606 1.162 . . . . 0.0 109.288 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.8 mt -131.33 162.45 30.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 127.417 2.287 . . . . 0.0 108.096 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 p90 -149.36 161.89 41.17 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 165.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.51 44.22 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -76.05 168.4 28.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 122.847 0.459 . . . . 0.0 110.097 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.6 -11.07 15.71 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.259 1.973 . . . . 0.0 112.49 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.11 -35.93 74.48 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.007 0.923 . . . . 0.0 109.698 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.38 7.11 3.63 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.503 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.08 133.5 51.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.142 1.377 . . . . 0.0 108.395 -167.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.33 109.11 6.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -86.8 165.16 16.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.351 0.596 . . . . 0.0 109.621 175.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.32 -148.74 18.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.902 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.5 172.09 36.39 Favored 'Cis proline' 0 N--CA 1.453 -0.874 0 C-N-CA 124.144 -1.19 . . . . 0.0 112.648 -2.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -137.4 157.23 47.04 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 125.801 1.641 . . . . 0.0 109.845 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.08 148.78 25.55 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.12 1.768 . . . . 0.0 110.605 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.29 -27.12 67.68 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 118.826 -1.15 . . . . 0.0 110.468 -172.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -64.72 -41.32 96.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.76 0.709 . . . . 0.0 110.181 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -66.09 -53.21 40.91 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.01 -44.54 82.91 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.085 0.402 . . . . 0.0 111.573 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -61.39 -52.68 63.58 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.222 0.609 . . . . 0.0 109.835 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.1 -22.85 67.01 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -83.68 -28.87 28.04 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.942 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -62.92 -44.65 95.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.421 1.009 . . . . 0.0 108.444 166.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.99 -19.49 65.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.591 2.356 . . . . 0.0 111.877 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.86 7.31 28.07 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.918 1.687 . . . . 0.0 111.173 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.84 15.36 5.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.672 1.589 . . . . 0.0 114.975 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -67.98 11.45 0.15 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.854 1.662 . . . . 0.0 112.96 166.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -139.74 158.56 43.91 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.444 1.897 . . . . 0.0 108.333 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -80.74 167.97 19.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 110.177 -176.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -71.67 -31.73 67.1 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.173 -0.955 . . . . 0.0 112.083 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -106.69 39.6 1.81 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.251 1.42 . . . . 0.0 111.372 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -78.2 142.03 38.22 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 120.895 -1.128 . . . . 0.0 111.345 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.46 157.73 31.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.557 -0.714 . . . . 0.0 112.751 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.61 160.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 127.317 2.247 . . . . 0.0 108.793 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 32.4 p90 -140.51 160.22 40.48 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.718 0.807 . . . . 0.0 108.934 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.8 mtt -71.02 158.22 36.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.499 0.72 . . . . 0.0 111.28 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 p -57.81 138.61 55.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.918 -0.489 . . . . 0.0 110.278 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.83 -31.42 2.78 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 117.772 -1.571 . . . . 0.0 112.929 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.73 168.34 19.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.947 1.874 . . . . 0.0 112.069 -170.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -73.67 126.19 29.76 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 125.365 1.466 . . . . 0.0 110.527 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.515 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 20.0 ttm -53.13 -37.51 61.86 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.675 0.79 . . . . 0.0 110.634 163.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.0 -9.15 35.73 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.42 19.57 14.66 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.559 1.072 . . . . 0.0 110.447 172.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.09 160.11 2.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.292 1.437 . . . . 0.0 110.866 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 m -128.01 159.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.867 1.267 . . . . 0.0 109.157 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.15 119.88 9.81 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 tp -48.95 -36.51 17.62 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.943 0.777 . . . . 0.0 110.164 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 p -68.48 -23.6 64.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.845 0.858 . . . . 0.0 112.141 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -29.56 21.7 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.307 -0.871 . . . . 0.0 110.43 171.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.81 -36.08 68.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 O-C-N 120.744 -1.223 . . . . 0.0 109.368 168.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.9 -25.77 68.47 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.216 1.406 . . . . 0.0 113.804 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -81.2 -40.91 23.13 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.348 1.059 . . . . 0.0 110.163 171.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.12 -34.64 78.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.774 0.83 . . . . 0.0 110.214 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 170.616 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.86 138.95 55.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 167.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -133.21 -27.55 1.59 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.634 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.93 -24.99 20.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.96 0.904 . . . . 0.0 111.582 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -88.02 158.13 18.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.11 96.37 9.42 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -134.88 -6.58 2.41 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.73 116.68 31.14 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.11 0.868 . . . . 0.0 110.351 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.6 mt -90.46 155.29 19.02 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -147.36 148.49 31.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.501 0.72 . . . . 0.0 109.257 168.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HE2' ' CE ' ' A' ' 60' ' ' MET . 1.3 tttm -89.32 128.98 35.93 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 171.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 p30 -81.5 -179.81 1.62 Allowed Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.908 0.883 . . . . 0.0 110.005 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.4 -11.68 13.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.039 1.826 . . . . 0.0 112.986 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.34 -29.52 63.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.83 0.741 . . . . 0.0 109.026 170.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.58 12.46 30.53 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.038 1.78 . . . . 0.0 111.682 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.36 142.73 27.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.135 1.967 . . . . 0.0 107.997 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -74.73 104.35 3.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -90.94 155.16 18.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.689 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.69 -160.02 14.18 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 123.785 0.707 . . . . 0.0 112.412 165.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.73 171.3 68.8 Favored 'Cis proline' 0 N--CA 1.461 -0.436 0 CA-C-N 118.228 1.014 . . . . 0.0 112.668 8.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -138.03 161.82 35.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.368 1.867 . . . . 0.0 110.598 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.05 145.78 46.32 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.917 1.287 . . . . 0.0 108.83 166.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.94 -35.87 71.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -64.43 -37.9 89.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.694 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -63.97 -47.95 78.39 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.561 1.073 . . . . 0.0 110.012 173.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.03 -42.51 85.5 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.083 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -57.32 -51.91 67.49 Favored 'General case' 0 C--O 1.227 -0.081 0 CA-C-O 117.554 -1.212 . . . . 0.0 109.833 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.45 85.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.438 1.017 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.339 0.518 . . . . 0.0 111.185 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -60.64 -43.51 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.155 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.26 -40.08 82.02 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.296 1.838 . . . . 0.0 111.53 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.61 9.03 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.074 1.749 . . . . 0.0 111.487 171.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 58.28 27.39 15.17 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.743 2.017 . . . . 0.0 114.649 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -61.76 -7.12 3.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.203 1.401 . . . . 0.0 113.008 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -131.6 173.52 11.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 126.276 1.83 . . . . 0.0 109.066 -160.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -95.18 166.76 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.442 1.097 . . . . 0.0 108.639 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 7.1 42.81 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 120.81 -1.181 . . . . 0.0 111.809 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -141.37 70.26 1.34 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 155.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -86.68 140.43 29.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.881 0.872 . . . . 0.0 109.307 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.58 160.65 30.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.436 0.695 . . . . 0.0 112.084 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.95 153.8 15.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 126.244 1.818 . . . . 0.0 109.077 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -148.82 157.48 43.47 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.536 0.734 . . . . 0.0 110.925 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 mtt -72.7 162.52 29.38 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 123.185 1.469 . . . . 0.0 112.228 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.2 p -59.48 127.24 31.09 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.942 -1.027 . . . . 0.0 108.963 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -17.77 41.42 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.773 -1.015 . . . . 0.0 113.037 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -66.99 164.89 16.72 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.304 1.552 . . . . 0.0 110.345 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 145.24 37.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.447 ' CE ' ' HE2' ' A' ' 23' ' ' LYS . 47.0 ttm -58.85 -31.44 68.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 167.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.55 -8.5 57.91 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.633 -0.667 . . . . 0.0 112.67 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.8 m -92.46 8.16 39.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.402 1.001 . . . . 0.0 111.607 163.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 164.41 11.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 119.583 1.083 . . . . 0.0 111.216 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.29 161.14 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.836 1.254 . . . . 0.0 109.854 -176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 124.17 23.0 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -52.71 -31.67 38.91 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.832 0.708 . . . . 0.0 111.34 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.24 -41.23 98.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.891 0.853 . . . . 0.0 110.802 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -36.8 72.02 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 121.66 -0.65 . . . . 0.0 109.695 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.4 t -69.81 -31.32 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 124.085 0.954 . . . . 0.0 110.609 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -50.27 74.23 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.684 1.193 . . . . 0.0 109.726 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.42 -47.12 86.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.752 0.821 . . . . 0.0 111.455 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.78 -41.94 95.47 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.472 0.709 . . . . 0.0 111.492 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 CA--C 1.538 0.513 0 O-C-N 121.542 -0.724 . . . . 0.0 110.502 173.402 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 C--O 1.234 0.254 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.64 123.8 27.12 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -95.55 -15.56 22.76 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 116.86 -1.543 . . . . 0.0 112.566 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.8 -50.47 3.84 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 120.332 1.424 . . . . 0.0 111.189 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 161.56 30.85 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.079 0.854 . . . . 0.0 110.892 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -84.17 102.2 12.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -132.31 0.48 3.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -122.64 119.56 31.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.824 0.738 . . . . 0.0 109.72 -171.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.6 mt -93.67 164.45 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 126.745 2.018 . . . . 0.0 109.598 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 30.2 p90 -150.68 161.53 42.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.453 0.701 . . . . 0.0 109.754 163.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -101.72 139.32 37.53 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.806 1.242 . . . . 0.0 109.91 165.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -109.47 174.52 2.36 Favored Pre-proline 0 C--O 1.24 0.574 0 C-N-CA 123.844 0.858 . . . . 0.0 109.715 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 56.4 Cg_endo -80.24 45.02 1.85 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 125.184 3.923 . . . . 0.0 110.09 175.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 24' ' ' ASP . 7.1 mm-40 -124.25 -18.68 5.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 129.729 3.212 . . . . 0.0 108.989 168.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.67 13.55 80.31 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 124.149 0.881 . . . . 0.0 112.532 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.56 149.21 21.78 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 163.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -78.95 141.68 15.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 159.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -118.59 166.64 12.47 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.749 0.785 . . . . 0.0 110.476 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.27 -163.51 37.59 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.114 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.76 168.45 76.17 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.854 -1.311 . . . . 0.0 114.609 21.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.32 160.82 37.2 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.89 2.076 . . . . 0.0 109.087 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.2 p -92.41 155.72 17.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.96 0.904 . . . . 0.0 110.935 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.67 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.7 m -62.99 -48.15 80.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.001 0.818 . . . . 0.0 109.393 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.02 -50.45 73.69 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 122.512 0.325 . . . . 0.0 110.134 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.6 mt -63.52 -42.46 98.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.691 0.397 . . . . 0.0 111.438 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -54.32 -52.69 60.74 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.206 1.002 . . . . 0.0 110.36 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.43 78.37 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.528 0.731 . . . . 0.0 112.723 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -77.25 -34.24 55.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.987 0.915 . . . . 0.0 111.655 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -59.47 -46.02 89.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -48.13 79.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.419 1.088 . . . . 0.0 110.804 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.86 11.83 0.34 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.249 1.82 . . . . 0.0 114.027 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 51.97 37.21 20.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.149 1.779 . . . . 0.0 112.206 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.39 -36.56 66.05 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.827 -1.171 . . . . 0.0 110.109 162.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -110.33 -171.13 1.77 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.779 0.831 . . . . 0.0 111.233 -167.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -134.42 165.18 25.76 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.763 0.825 . . . . 0.0 109.587 -169.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -62.55 -8.24 6.03 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.549 1.94 . . . . 0.0 113.394 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -126.23 24.14 6.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.617 1.567 . . . . 0.0 109.538 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -82.98 142.33 31.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.799 1.24 . . . . 0.0 108.719 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.14 160.06 35.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 111.764 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -140.39 150.03 21.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 110.653 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 31.9 p90 -131.44 159.26 38.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.606 1.163 . . . . 0.0 110.238 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.0 mtt -77.28 157.78 30.57 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.142 0.496 . . . . 0.0 110.691 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.7 p -61.19 119.24 8.02 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.55 -0.719 . . . . 0.0 111.714 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.41 -10.3 75.15 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.313 0.959 . . . . 0.0 112.792 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.8 165.15 23.04 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 118.502 1.151 . . . . 0.0 108.82 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -83.57 152.21 24.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.404 0.621 . . . . 0.0 109.632 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.451 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 22.5 ttm -60.89 -28.44 68.89 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.088 1.355 . . . . 0.0 112.31 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -29.84 70.44 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.255 -1.528 . . . . 0.0 110.428 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -75.51 2.18 12.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.417 1.487 . . . . 0.0 111.332 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 147.54 53.23 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 120.5 -1.375 . . . . 0.0 110.453 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.03 161.84 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.858 1.263 . . . . 0.0 108.724 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.9 120.71 10.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 108.316 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.25 -31.24 53.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.08 0.552 . . . . 0.0 110.361 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 p -67.22 -23.33 65.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.998 0.919 . . . . 0.0 111.998 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.98 -37.67 16.18 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 173.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.76 -30.68 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.204 0.911 . . . . 0.0 111.011 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -47.63 85.11 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 120.903 -1.123 . . . . 0.0 110.832 170.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -60.94 -46.83 89.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.872 -1.142 . . . . 0.0 110.27 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.66 0.16 5.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.918 1.287 . . . . 0.0 112.917 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 169.103 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.65 123.32 47.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -101.73 9.36 41.01 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.574 0.75 . . . . 0.0 112.498 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.1 -72.46 0.67 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.32 144.12 57.22 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.315 0.578 . . . . 0.0 111.603 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.49 120.31 12.64 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 166.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -149.01 5.71 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -124.16 127.86 48.39 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.361 1.064 . . . . 0.0 108.917 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.01 159.93 14.8 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 127.601 2.36 . . . . 0.0 108.352 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -155.35 166.33 33.87 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.79 126.86 51.22 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.124 1.37 . . . . 0.0 108.407 169.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 169.34 16.45 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 118.66 0.664 . . . . 0.0 109.405 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.97 -24.51 19.43 Favored 'Trans proline' 0 C--N 1.349 0.584 1 C-N-CA 125.526 4.151 . . . . 0.0 114.158 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.98 -17.46 64.69 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.132 1.373 . . . . 0.0 112.128 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.97 -12.07 68.71 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.729 1.157 . . . . 0.0 112.475 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.55 134.52 43.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.659 1.229 . . . . 0.0 107.846 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.95 136.63 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 158.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.4 162.02 18.61 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.83 -165.15 13.29 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 163.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.13 171.14 69.6 Favored 'Cis proline' 0 CA--C 1.535 0.531 0 C-N-CA 124.996 -0.835 . . . . 0.0 114.234 12.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.95 167.69 20.47 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.334 1.854 . . . . 0.0 109.473 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -87.2 157.52 19.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.95 -36.26 74.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.615 -0.707 . . . . 0.0 111.152 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -65.23 -46.92 78.67 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.927 1.291 . . . . 0.0 111.219 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -62.47 -46.05 90.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.692 0.678 . . . . 0.0 109.551 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.16 -43.97 96.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.474 0.71 . . . . 0.0 110.479 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -56.31 -46.25 79.93 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.821 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.01 83.66 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.567 0.622 . . . . 0.0 111.619 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -59.14 -36.31 75.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.73 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 t -62.66 -45.73 91.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.598 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.9 -13.43 59.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.537 0.608 . . . . 0.0 111.878 -171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.54 47.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.697 1.599 . . . . 0.0 112.108 167.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 52.4 52.43 14.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.466 2.306 . . . . 0.0 113.423 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.97 11.48 6.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.208 1.403 . . . . 0.0 113.02 167.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -122.74 -161.92 0.98 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.249 1.42 . . . . 0.0 111.444 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 p -128.67 162.28 27.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.619 1.168 . . . . 0.0 109.535 -171.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -1.43 3.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -144.08 48.74 1.38 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.43 1.468 . . . . 0.0 108.225 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -84.17 136.15 34.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.513 0.673 . . . . 0.0 109.871 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 162.92 28.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.329 1.051 . . . . 0.0 111.271 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 150.18 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.424 1.49 . . . . 0.0 107.673 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.9 p90 -129.06 157.43 41.76 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.5 mtt -72.67 165.89 23.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 122.108 0.956 . . . . 0.0 110.691 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -59.1 155.72 13.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.488 0.661 . . . . 0.0 109.809 168.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.57 -26.18 0.48 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.458 1.028 . . . . 0.0 114.525 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.12 162.24 25.95 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.612 1.706 . . . . 0.0 112.202 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.2 t -73.0 155.51 39.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.111 0.964 . . . . 0.0 108.739 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.49 -33.57 69.94 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.354 0.662 . . . . 0.0 111.086 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -30.34 70.27 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.403 -0.811 . . . . 0.0 110.988 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -75.33 4.98 6.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.818 2.047 . . . . 0.0 112.339 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 149.55 48.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.771 -1.205 . . . . 0.0 110.175 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.53 160.18 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 125.406 1.482 . . . . 0.0 109.306 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.72 129.18 40.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.37 -32.43 62.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.934 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 p -67.1 -31.96 72.79 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.606 -0.684 . . . . 0.0 111.814 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.17 -47.55 42.87 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -42.74 73.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.459 1.104 . . . . 0.0 111.638 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -46.68 87.75 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.348 1.059 . . . . 0.0 111.485 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -51.67 69.03 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.377 1.071 . . . . 0.0 109.7 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.17 -32.16 73.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.614 0.643 . . . . 0.0 111.901 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.73 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.69 98.89 2.01 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 122.142 0.972 . . . . 0.0 110.6 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -93.18 -6.62 47.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 117.818 -1.086 . . . . 0.0 111.863 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -124.79 -15.86 6.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 120.448 1.476 . . . . 0.0 114.064 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -109.19 151.44 26.48 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.079 1.308 . . . . 0.0 109.005 171.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.513 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.86 99.4 4.47 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -131.56 -11.2 3.54 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -104.49 115.15 29.85 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.582 1.083 . . . . 0.0 109.791 -171.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.08 154.89 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.701 1.601 . . . . 0.0 107.496 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 21.1 p90 -140.54 160.9 39.0 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 165.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE3' ' HE3' ' A' ' 60' ' ' MET . 5.6 tttt -101.08 148.71 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 162.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.404 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.0 OUTLIER -119.44 178.39 1.11 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.098 0.959 . . . . 0.0 109.146 -176.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 69.8 Cg_endo -71.43 -11.63 28.63 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.638 2.892 . . . . 0.0 111.563 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -64.57 -22.12 66.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.523 1.129 . . . . 0.0 110.482 168.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.48 -6.94 74.94 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 126.618 2.056 . . . . 0.0 112.81 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.29 140.26 43.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.748 1.274 . . . . 0.0 108.528 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.68 134.56 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 152.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -120.14 170.38 9.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.83 1.652 . . . . 0.0 109.03 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -161.32 31.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.17 170.86 70.4 Favored 'Cis proline' 0 N--CA 1.452 -0.914 0 CA-C-N 118.402 1.101 . . . . 0.0 112.568 15.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CE2' ' CE2' ' A' ' 22' ' ' TYR . 74.6 m-85 -140.05 160.43 39.94 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.459 1.903 . . . . 0.0 108.753 -172.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.4 p -86.34 153.59 21.84 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.006 0.432 . . . . 0.0 110.61 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.21 -24.59 67.95 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 m -76.46 -37.0 57.58 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.672 1.124 . . . . 0.0 110.728 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -57.61 -49.98 74.64 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.89 -35.73 79.23 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.578 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.46 -53.6 55.57 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.467 1.03 . . . . 0.0 110.305 170.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.0 86.17 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.721 0.692 . . . . 0.0 111.348 -174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.2 m0 -67.0 -41.17 87.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 122.54 0.336 . . . . 0.0 110.846 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.35 -38.02 89.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 110.903 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.06 -29.42 70.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 126.181 1.792 . . . . 0.0 111.125 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.16 11.34 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.828 1.651 . . . . 0.0 112.682 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 52.65 31.0 9.47 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.165 1.786 . . . . 0.0 113.88 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.27 -31.63 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.425 -0.797 . . . . 0.0 110.462 168.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CD1' ' CE2' ' A' ' 51' ' ' PHE . 18.5 m-85 -124.04 167.09 14.65 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.757 1.223 . . . . 0.0 110.188 -162.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 p -108.41 174.66 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.145 1.378 . . . . 0.0 110.108 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -68.35 -5.08 16.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.485 1.114 . . . . 0.0 113.776 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.93 31.17 5.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.043 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 47' ' ' PHE . 38.1 t80 -86.09 103.21 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.096 -1.002 . . . . 0.0 109.122 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.72 159.2 19.23 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 120.64 -1.287 . . . . 0.0 112.116 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.18 154.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 127.077 2.151 . . . . 0.0 108.305 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -141.85 156.06 45.54 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.838 0.855 . . . . 0.0 108.89 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.9 mtt -73.09 157.39 37.38 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.4 p -61.58 150.53 35.87 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.86 -27.74 4.77 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.947 -0.918 . . . . 0.0 112.149 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -94.26 169.69 10.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.439 1.62 . . . . 0.0 110.958 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 122.58 1.181 . . . . 0.0 110.423 -174.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.429 ' HE3' ' HE3' ' A' ' 23' ' ' LYS . 31.5 ttm -74.8 -34.02 62.33 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.951 1.3 . . . . 0.0 111.255 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.06 -38.77 90.04 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.549 -0.719 . . . . 0.0 110.362 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 t -72.9 -3.53 26.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.701 2.001 . . . . 0.0 112.49 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.74 144.01 55.34 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 120.186 1.357 . . . . 0.0 111.004 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.6 m -107.25 166.86 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 126.367 1.867 . . . . 0.0 108.779 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.75 133.63 38.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.57 -1.331 . . . . 0.0 109.173 -177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.26 -33.46 69.42 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.702 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -34.46 78.42 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.766 1.167 . . . . 0.0 111.757 178.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -53.3 19.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.908 0.883 . . . . 0.0 108.875 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.79 -27.15 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 122.592 0.357 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.11 87.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.709 1.204 . . . . 0.0 111.571 170.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -66.92 -46.66 74.12 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.358 173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.13 -52.43 55.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.24 0.616 . . . . 0.0 110.549 -174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 CA--C 1.538 0.493 0 O-C-N 120.595 -1.315 . . . . 0.0 109.885 170.505 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -79.63 98.2 6.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -99.93 -18.05 17.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.235 -1.364 . . . . 0.0 112.84 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -120.25 12.27 11.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.197 1.362 . . . . 0.0 112.051 -173.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -127.71 151.39 49.03 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 165.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.29 93.21 1.46 Allowed 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 125.411 1.484 . . . . 0.0 109.4 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.67 3.53 4.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -128.27 121.42 29.27 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.871 0.76 . . . . 0.0 110.535 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.1 mt -90.86 159.78 16.07 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 127.855 2.462 . . . . 0.0 109.18 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.439 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 14.9 p90 -149.69 165.77 31.35 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.889 0.476 . . . . 0.0 110.507 165.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.58 120.59 42.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.024 1.329 . . . . 0.0 110.012 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -76.11 -178.9 1.0 Allowed Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.441 1.096 . . . . 0.0 108.745 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -86.24 40.38 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.626 3.551 . . . . 0.0 109.771 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -120.12 -5.22 10.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.675 1.59 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 0.88 63.01 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.135 1.826 . . . . 0.0 113.709 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.41 128.27 34.66 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.122 1.769 . . . . 0.0 107.816 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.98 128.35 26.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 155.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -104.67 160.0 15.32 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.181 0.993 . . . . 0.0 108.636 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.61 -162.99 14.73 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 124.302 0.954 . . . . 0.0 112.127 168.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.96 167.76 77.66 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.777 -0.926 . . . . 0.0 113.184 10.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -134.61 155.02 51.21 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.808 2.043 . . . . 0.0 108.419 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 147.46 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 167.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.51 -31.74 69.65 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.982 -0.449 . . . . 0.0 110.86 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -59.47 -46.78 87.82 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.218 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.97 -42.75 89.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.958 0.503 . . . . 0.0 111.316 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -41.81 98.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 110.695 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -59.88 -46.28 89.82 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 118.713 0.688 . . . . 0.0 110.287 173.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.06 82.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.2 0.455 . . . . 0.0 111.7 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -67.96 -44.52 76.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.196 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -40.82 88.44 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 109.287 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -30.6 53.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.852 2.061 . . . . 0.0 111.868 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.3 2.67 39.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.638 1.975 . . . . 0.0 112.515 -172.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 71.45 20.06 4.99 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.567 2.347 . . . . 0.0 113.278 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -69.63 -2.99 13.14 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.632 -1.292 . . . . 0.0 113.753 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -131.93 -179.4 5.38 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.904 2.481 . . . . 0.0 108.938 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.6 p -105.51 164.28 12.01 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.653 1.581 . . . . 0.0 110.129 -172.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -70.13 7.57 0.95 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.676 1.19 . . . . 0.0 113.801 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.06 28.44 1.72 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.245 1.818 . . . . 0.0 109.864 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.65 143.62 34.49 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.923 -1.11 . . . . 0.0 111.12 -169.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -125.08 164.99 19.01 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.185 0.994 . . . . 0.0 112.76 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.69 157.16 29.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 126.31 1.844 . . . . 0.0 108.819 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.453 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 29.8 p90 -137.78 159.86 40.83 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 171.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.74 156.22 38.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.045 1.338 . . . . 0.0 111.006 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 p -54.13 102.46 0.06 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.582 1.153 . . . . 0.0 109.809 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.34 -5.7 59.06 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 117.29 -1.839 . . . . 0.0 114.382 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.41 168.17 19.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 120.231 2.015 . . . . 0.0 110.094 170.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.93 138.54 36.12 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 123.497 0.719 . . . . 0.0 109.653 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 29.8 ttm -58.59 -26.31 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.836 1.254 . . . . 0.0 113.586 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.62 -17.48 61.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 118.115 -0.945 . . . . 0.0 112.821 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 m -95.73 15.5 19.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.036 1.734 . . . . 0.0 111.555 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 131.42 46.26 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.87 -1.144 . . . . 0.0 110.583 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -96.6 160.77 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 124.275 1.03 . . . . 0.0 109.515 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 120.34 9.31 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 124.587 1.155 . . . . 0.0 108.144 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.5 tp -53.44 -33.72 55.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.385 171.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -32.53 71.65 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.684 0.674 . . . . 0.0 111.936 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.08 -47.32 71.6 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.376 -0.827 . . . . 0.0 109.101 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.24 -39.82 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.093 1.357 . . . . 0.0 110.578 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.15 -37.97 78.6 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.465 1.106 . . . . 0.0 112.082 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -65.28 -58.63 5.47 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.87 -48.46 79.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.329 0.652 . . . . 0.0 112.682 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 N--CA 1.444 -0.758 0 C-N-CA 125.083 1.353 . . . . 0.0 111.641 179.32 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -65.77 119.83 11.93 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -101.12 -15.49 17.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.276 -1.345 . . . . 0.0 112.358 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.52 -40.66 12.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.391 0.996 . . . . 0.0 109.722 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -85.27 157.15 20.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.593 0.558 . . . . 0.0 110.665 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.33 83.34 6.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -119.09 4.59 11.34 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -171.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -129.08 145.67 51.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.562 0.745 . . . . 0.0 109.754 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -124.58 156.48 37.34 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.018 2.127 . . . . 0.0 107.533 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -144.46 150.92 38.42 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 170.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -95.12 123.18 38.47 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -77.87 177.21 2.89 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.454 1.101 . . . . 0.0 110.848 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -83.07 -0.73 10.11 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.036 2.491 . . . . 0.0 114.01 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -82.17 -36.1 27.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 119.563 1.074 . . . . 0.0 109.09 169.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.6 19.45 4.53 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.207 -1.329 . . . . 0.0 112.253 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.49 144.04 38.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 119.76 1.78 . . . . 0.0 108.292 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -83.76 111.85 20.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -87.78 166.57 14.51 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.9 -161.95 21.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 172.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.88 164.77 86.69 Favored 'Cis proline' 0 N--CA 1.455 -0.771 0 C-N-CA 124.507 -1.039 . . . . 0.0 113.14 10.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -132.58 159.87 38.26 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.192 1.397 . . . . 0.0 108.201 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -82.03 149.57 28.04 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.485 1.114 . . . . 0.0 109.618 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.33 -33.36 71.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.913 0.778 . . . . 0.0 110.43 175.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.2 m -62.19 -29.44 70.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.337 0.655 . . . . 0.0 111.934 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -80.24 -50.98 9.48 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 119.235 0.925 . . . . 0.0 109.221 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.77 -42.96 80.31 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.911 0.884 . . . . 0.0 110.319 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -57.34 -54.64 44.54 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.827 0.851 . . . . 0.0 111.053 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.78 79.25 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 123.423 0.452 . . . . 0.0 111.442 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.2 m0 -64.96 -44.32 89.77 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.754 0.822 . . . . 0.0 110.213 170.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t -63.48 -36.91 85.32 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.375 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.3 -50.51 73.72 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 119.288 0.949 . . . . 0.0 109.454 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.89 13.45 0.15 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.233 1.813 . . . . 0.0 113.724 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 70.27 4.96 5.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.862 2.465 . . . . 0.0 114.97 168.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.88 9.14 0.1 Allowed 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -172.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -126.5 178.9 5.59 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.609 1.564 . . . . 0.0 110.894 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.8 p -101.61 167.56 10.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.419 1.488 . . . . 0.0 110.43 -169.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -63.84 -24.63 67.83 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.752 -1.217 . . . . 0.0 112.31 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -129.75 57.93 1.66 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -82.27 115.19 21.23 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.029 0.932 . . . . 0.0 108.511 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -97.72 167.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 119.113 0.869 . . . . 0.0 111.399 169.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.12 157.06 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 126.204 1.802 . . . . 0.0 107.748 169.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.43 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 18.6 p90 -136.81 164.45 28.25 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.1 mtt -78.14 160.32 28.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.288 0.566 . . . . 0.0 110.438 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -61.35 144.49 53.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.409 0.684 . . . . 0.0 109.554 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.11 -9.78 17.74 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.957 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -89.85 176.37 6.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 119.246 1.523 . . . . 0.0 111.588 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.57 128.42 33.36 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.348 2.259 . . . . 0.0 109.223 175.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.546 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 38.2 ttm -56.66 -41.09 76.63 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.947 0.499 . . . . 0.0 110.507 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.1 -22.76 66.07 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.088 -1.008 . . . . 0.0 112.453 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -83.91 5.02 26.94 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.983 1.265 . . . . 0.0 112.491 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.28 148.66 11.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.426 1.012 . . . . 0.0 111.537 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.9 160.08 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 125.695 1.598 . . . . 0.0 109.537 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 123.63 20.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.966 1.307 . . . . 0.0 108.077 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 67.4 tp -53.29 -31.06 42.04 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.798 0.439 . . . . 0.0 112.116 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 p -72.28 -20.96 61.43 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.873 0.76 . . . . 0.0 111.287 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.8 -39.56 19.84 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.908 1.283 . . . . 0.0 108.784 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.95 -34.26 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.808 -0.558 . . . . 0.0 110.494 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -56.38 19.07 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.3 169.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -58.27 -40.9 83.06 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.414 1.086 . . . . 0.0 111.747 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.09 -43.93 97.14 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 111.281 179.286 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.504 0.669 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -72.21 99.31 2.33 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.989 1.716 . . . . 0.0 108.91 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -112.36 -17.57 12.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.121 -0.987 . . . . 0.0 113.028 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -115.27 1.16 13.72 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.742 1.217 . . . . 0.0 112.1 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 162.85 15.84 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 166.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -82.83 103.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -137.37 1.83 2.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -128.33 119.77 25.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 118.928 0.786 . . . . 0.0 110.663 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -90.85 156.74 17.79 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.136 2.174 . . . . 0.0 108.607 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -151.34 157.39 42.42 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 171.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -98.3 116.99 31.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.248 1.419 . . . . 0.0 108.778 169.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 175.79 4.4 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 164.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.47 -10.94 20.63 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.808 2.338 . . . . 0.0 113.461 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -27.42 68.88 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.668 1.122 . . . . 0.0 111.041 165.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.12 -0.74 66.82 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.61 -1.106 . . . . 0.0 112.954 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.27 135.31 55.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.903 1.352 . . . . 0.0 107.58 166.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.01 94.36 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 166.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -75.86 164.66 25.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.713 0.768 . . . . 0.0 109.092 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.49 -168.23 30.58 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.155 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.92 167.49 74.86 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 124.56 -1.017 . . . . 0.0 113.728 19.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.26 162.05 34.08 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.021 1.728 . . . . 0.0 109.784 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.32 144.87 32.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.195 0.998 . . . . 0.0 109.624 168.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.6 -29.47 70.72 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.583 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -65.01 -36.72 85.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.632 1.106 . . . . 0.0 109.745 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.6 -48.84 68.26 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.4 0.545 . . . . 0.0 110.578 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.14 -37.74 86.3 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.732 -0.605 . . . . 0.0 111.343 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -62.06 -48.7 79.05 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.464 1.105 . . . . 0.0 110.049 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.05 78.67 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.245 0.93 . . . . 0.0 111.038 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -75.91 -28.76 58.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.742 1.217 . . . . 0.0 112.06 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -65.12 -30.72 71.68 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.813 165.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.17 -13.31 59.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.806 1.243 . . . . 0.0 112.597 178.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.8 -2.08 20.31 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.227 1.811 . . . . 0.0 111.695 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 51.73 68.73 0.76 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.826 2.05 . . . . 0.0 112.056 -170.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -105.31 11.2 33.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.089 1.356 . . . . 0.0 111.038 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -143.07 155.43 44.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.478 1.511 . . . . 0.0 109.401 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -81.91 172.01 13.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.969 -163.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -17.68 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 170.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -142.19 48.6 1.57 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.501 1.046 . . . . 0.0 108.62 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -83.05 146.16 28.88 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.202 -0.936 . . . . 0.0 111.246 -168.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -127.18 158.77 36.2 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.695 0.798 . . . . 0.0 112.056 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.32 158.65 28.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 126.271 1.828 . . . . 0.0 108.266 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -137.46 160.23 39.7 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.317 0.647 . . . . 0.0 109.607 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.44 158.74 35.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.708 0.766 . . . . 0.0 110.943 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -49.45 121.48 5.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.196 0.999 . . . . 0.0 109.434 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.66 -23.87 28.61 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 125.05 1.309 . . . . 0.0 113.127 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.33 166.49 21.27 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 118.768 1.284 . . . . 0.0 112.721 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.51 145.86 50.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 165.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.6 ttm -57.9 -29.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.813 1.292 . . . . 0.0 110.848 170.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 126.302 1.841 . . . . 0.0 110.499 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.7 m -72.54 -3.44 24.56 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.005 0.922 . . . . 0.0 113.305 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 140.89 56.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.349 0.977 . . . . 0.0 110.962 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.69 163.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.556 1.942 . . . . 0.0 108.757 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.83 126.68 30.19 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.48 -37.36 25.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.688 170.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -26.53 66.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.4 0.68 . . . . 0.0 112.523 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.26 -39.05 23.53 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 109.637 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.69 -35.45 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 121.087 -1.008 . . . . 0.0 109.793 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -27.25 67.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.133 1.373 . . . . 0.0 112.294 169.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -61.48 1.96 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.238 0.926 . . . . 0.0 108.64 168.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.3 -27.58 68.58 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.944 1.297 . . . . 0.0 112.611 -164.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 125.04 1.336 . . . . 0.0 108.501 175.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.46 99.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.889 -169.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -89.13 -21.59 23.28 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.932 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -95.74 -53.55 3.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 119.913 1.233 . . . . 0.0 109.268 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.31 159.92 28.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.697 0.68 . . . . 0.0 111.357 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.97 109.24 5.67 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 171.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.06 6.75 1.57 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -128.11 120.66 27.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.179 0.991 . . . . 0.0 108.989 -174.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 mt -90.57 162.99 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 126.837 2.055 . . . . 0.0 108.854 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -148.37 162.85 38.72 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.749 -0.595 . . . . 0.0 110.004 165.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 5.0 ttmt -102.44 134.25 46.06 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.613 1.165 . . . . 0.0 108.082 169.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.37 174.25 4.59 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.012 0.925 . . . . 0.0 110.587 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.09 -7.22 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.903 2.402 . . . . 0.0 112.574 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.41 -13.5 46.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.437 1.495 . . . . 0.0 110.255 167.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.94 9.85 67.4 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 128.764 3.078 . . . . 0.0 113.381 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.22 137.8 43.29 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.93 145.12 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 160.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -129.98 159.8 35.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.019 1.328 . . . . 0.0 108.309 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.68 -158.79 20.32 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.707 167.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.7 170.0 72.73 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 CA-C-O 122.712 1.047 . . . . 0.0 113.319 9.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.09 165.29 25.4 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.586 1.954 . . . . 0.0 107.967 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -97.29 154.97 17.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.957 0.903 . . . . 0.0 110.865 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -25.22 66.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 118.956 -0.545 . . . . 0.0 112.36 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -66.91 -51.27 57.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.54 -48.65 76.83 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 123.621 0.769 . . . . 0.0 110.753 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.48 -40.93 96.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.303 -0.855 . . . . 0.0 111.456 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -60.0 -49.48 77.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.525 1.057 . . . . 0.0 109.729 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.52 78.38 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 123.686 0.616 . . . . 0.0 110.603 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -70.78 -31.64 68.49 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -62.72 -38.65 91.32 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.226 0.921 . . . . 0.0 109.269 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -79.25 -46.28 18.13 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.608 1.163 . . . . 0.0 110.475 -174.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.21 7.26 2.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.027 1.731 . . . . 0.0 113.18 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 55.18 44.23 28.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.879 2.072 . . . . 0.0 114.343 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -78.67 -13.34 59.87 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.304 -0.872 . . . . 0.0 112.144 164.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -116.87 -158.79 0.71 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.293 1.837 . . . . 0.0 108.543 -167.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.4 p -125.06 160.3 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.872 0.869 . . . . 0.0 109.447 -171.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -68.62 2.32 2.54 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -136.07 31.21 2.98 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.332 1.853 . . . . 0.0 108.386 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -79.08 102.77 8.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.237 -0.914 . . . . 0.0 108.68 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.57 165.94 15.81 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.232 -0.917 . . . . 0.0 109.695 168.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.01 154.83 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 127.116 2.166 . . . . 0.0 107.68 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -134.37 155.84 49.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.4 mtt -73.18 158.97 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.609 1.195 . . . . 0.0 111.215 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.21 101.26 0.28 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.858 1.663 . . . . 0.0 110.757 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.77 13.92 51.61 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.655 -1.081 . . . . 0.0 112.367 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.57 170.66 9.31 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 119.366 1.583 . . . . 0.0 109.698 163.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -75.18 144.17 42.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.506 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 55.8 ttm -62.51 -32.7 73.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.444 0.64 . . . . 0.0 110.708 169.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.01 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.785 -1.197 . . . . 0.0 110.705 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -81.17 10.25 5.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.098 0.863 . . . . 0.0 112.372 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 123.4 18.14 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.221 0.918 . . . . 0.0 110.366 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -96.05 164.3 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 124.88 1.272 . . . . 0.0 107.591 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.73 132.8 49.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 tp -55.3 -38.91 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 164.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -69.1 -23.34 64.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.683 0.674 . . . . 0.0 111.422 -178.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.93 -54.31 8.21 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.211 0.914 . . . . 0.0 108.826 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.04 -34.0 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.442 1.097 . . . . 0.0 111.193 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -27.24 63.2 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.032 1.733 . . . . 0.0 113.042 173.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -93.76 -39.11 10.93 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.636 1.574 . . . . 0.0 110.818 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.99 -52.3 65.6 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 119.235 0.925 . . . . 0.0 109.84 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 124.05 0.94 . . . . 0.0 108.778 170.422 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--O 1.237 0.418 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.83 124.93 30.77 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 168.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -92.55 -4.71 53.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.278 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -114.52 -48.55 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.421 1.488 . . . . 0.0 108.596 -171.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.36 143.09 57.37 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.283 1.401 . . . . 0.0 110.4 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -77.92 93.74 4.46 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.714 1.206 . . . . 0.0 108.072 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -131.5 0.27 4.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -168.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -125.83 130.84 52.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.754 0.822 . . . . 0.0 109.31 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -108.22 157.91 17.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 126.004 1.722 . . . . 0.0 108.624 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -140.52 154.64 46.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 163.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.549 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -93.25 128.29 39.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 166.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -82.4 167.95 26.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 O-C-N 123.103 0.252 . . . . 0.0 110.497 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.16 -16.09 43.88 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.131 2.554 . . . . 0.0 114.865 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.53 -19.33 62.91 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 119.876 1.216 . . . . 0.0 110.065 172.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 33.12 5.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 125.249 1.404 . . . . 0.0 111.068 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.01 137.94 54.62 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.711 1.605 . . . . 0.0 108.362 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.07 116.17 23.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 169.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -95.48 161.16 14.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.759 0.823 . . . . 0.0 109.136 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.02 -153.41 19.45 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.422 -0.655 . . . . 0.0 112.341 169.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.71 166.98 81.57 Favored 'Cis proline' 0 N--CA 1.457 -0.62 0 CA-C-N 118.645 1.222 . . . . 0.0 111.796 4.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 165.15 25.99 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 126.542 1.937 . . . . 0.0 109.085 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 p -80.69 161.4 24.63 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.18 -22.08 62.99 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.93 -1.106 . . . . 0.0 110.823 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -72.17 -39.71 68.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 109.513 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.1 -52.27 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.19 -45.08 94.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 112.222 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.65 91.49 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.03 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.02 83.13 Favored 'General case' 0 CA--C 1.526 0.058 0 CA-C-N 119.301 0.955 . . . . 0.0 111.506 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -67.7 -36.62 80.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.208 0.603 . . . . 0.0 112.218 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -69.83 -39.11 76.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.118 0.872 . . . . 0.0 109.999 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -57.97 -46.63 84.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.563 1.145 . . . . 0.0 107.917 173.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -3.21 12.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.096 1.759 . . . . 0.0 113.868 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 63.22 26.92 15.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.693 1.997 . . . . 0.0 113.488 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.35 -49.15 78.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 122.092 0.948 . . . . 0.0 108.918 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -92.59 172.19 8.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.029 1.332 . . . . 0.0 110.678 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.0 p -112.45 167.11 10.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.609 0.719 . . . . 0.0 111.339 -157.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -65.72 -1.5 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.49 1.516 . . . . 0.0 113.383 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -143.52 40.1 1.43 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.161 1.346 . . . . 0.0 109.764 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.67 150.49 34.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -133.44 160.35 37.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.432 1.093 . . . . 0.0 112.434 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.69 157.88 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.724 1.61 . . . . 0.0 108.969 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -135.22 159.89 40.12 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.277 1.031 . . . . 0.0 108.716 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.0 mtt -75.06 156.55 36.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.435 0.636 . . . . 0.0 110.679 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -60.78 143.53 54.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.973 -0.455 . . . . 0.0 110.101 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.49 6.33 86.56 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.614 -1.103 . . . . 0.0 113.567 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -115.76 167.05 11.27 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.951 1.376 . . . . 0.0 109.004 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 148.82 33.72 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.299 1.439 . . . . 0.0 110.182 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.549 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 31.9 ttm -63.36 -32.2 73.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.894 177.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.28 -25.95 65.41 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.642 -0.662 . . . . 0.0 111.513 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.6 m -80.61 8.52 7.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.168 0.987 . . . . 0.0 112.507 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.59 136.88 58.18 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 119.934 1.243 . . . . 0.0 110.518 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -96.98 164.07 2.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.022 1.729 . . . . 0.0 108.956 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.79 122.74 19.21 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.89 -33.55 62.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.06 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 p -66.55 -24.88 66.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.313 0.645 . . . . 0.0 112.332 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -73.3 -55.5 6.33 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.68 -39.22 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.537 1.535 . . . . 0.0 111.48 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -49.9 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.695 0.798 . . . . 0.0 111.269 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.31 -41.34 96.88 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 123.136 0.574 . . . . 0.0 110.96 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.89 -37.74 83.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.814 0.734 . . . . 0.0 109.172 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.563 1.545 . . . . 0.0 112.199 171.871 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.37 98.13 8.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -165.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -115.42 -34.41 4.94 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.354 -167.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.28 -11.27 22.78 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.992 0.808 . . . . 0.0 110.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -109.35 143.0 39.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 117.19 12.14 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 119.55 1.068 . . . . 0.0 108.483 174.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.56 10.55 0.65 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -126.3 133.83 51.3 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.352 1.061 . . . . 0.0 109.658 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.64 147.29 32.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 126.242 1.817 . . . . 0.0 108.441 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -138.54 141.92 39.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.418 1.087 . . . . 0.0 108.959 170.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.16 122.43 31.72 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -65.13 166.16 14.03 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.616 -0.677 . . . . 0.0 109.204 172.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -76.13 -13.09 19.24 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 120.865 1.043 . . . . 0.0 111.954 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.0 -20.93 62.35 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.151 1.38 . . . . 0.0 111.129 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 -1.02 12.77 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.367 1.46 . . . . 0.0 113.08 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.99 136.99 39.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.534 1.534 . . . . 0.0 110.099 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.88 96.91 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -84.14 172.11 12.23 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.466 0.706 . . . . 0.0 110.737 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.91 -157.03 25.89 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.71 170.66 68.0 Favored 'Cis proline' 0 N--CA 1.458 -0.593 0 CA-C-N 118.178 0.989 . . . . 0.0 113.042 6.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -133.96 160.89 36.34 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.944 1.697 . . . . 0.0 110.139 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 147.11 28.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.962 1.705 . . . . 0.0 108.389 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.68 -34.06 73.78 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 121.728 -0.608 . . . . 0.0 111.347 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -66.14 -37.62 86.13 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.496 0.589 . . . . 0.0 110.614 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.15 -47.89 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.483 0.583 . . . . 0.0 109.471 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.35 -42.62 91.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.542 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -57.22 -59.74 4.65 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.219 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.26 67.75 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.073 0.852 . . . . 0.0 111.716 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.27 -44.13 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.097 0.959 . . . . 0.0 111.289 175.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.28 74.07 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.193 0.906 . . . . 0.0 110.672 170.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.41 -2.02 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 129.375 3.07 . . . . 0.0 112.811 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.53 8.49 13.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.222 1.809 . . . . 0.0 112.079 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 57.95 38.78 26.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.762 2.025 . . . . 0.0 113.223 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -73.91 -29.14 61.89 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.058 -1.651 . . . . 0.0 110.94 164.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -127.58 166.81 17.33 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.886 1.275 . . . . 0.0 110.561 -165.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.4 p -102.46 166.8 10.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.134 1.373 . . . . 0.0 110.515 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -79.88 -11.75 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.663 -1.273 . . . . 0.0 113.958 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -99.41 25.18 7.22 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 120.5 1.5 . . . . 0.0 111.018 167.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -71.96 100.41 2.45 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.463 -2.023 . . . . 0.0 109.482 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.72 158.47 20.76 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 120.648 -1.282 . . . . 0.0 110.627 167.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 m -142.46 164.26 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.92 1.688 . . . . 0.0 109.032 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.6 p90 -133.57 162.27 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.0 mtt -73.1 155.1 40.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.706 . . . . 0.0 111.556 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -61.96 135.63 57.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 122.05 -0.406 . . . . 0.0 110.135 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.32 -8.09 34.57 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.313 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 170.88 10.22 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.695 1.748 . . . . 0.0 110.834 171.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 t -74.98 144.67 43.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.911 0.884 . . . . 0.0 109.51 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.5 ttm -62.77 -36.11 82.01 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.66 -14.92 60.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.43 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -101.66 26.01 7.86 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.92 1.288 . . . . 0.0 110.773 173.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 169.77 1.44 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.69 1.233 . . . . 0.0 112.195 170.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.53 164.59 28.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 127.709 2.404 . . . . 0.0 107.031 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -75.64 133.26 40.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.024 -1.048 . . . . 0.0 108.625 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.63 -33.81 56.39 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.372 0.669 . . . . 0.0 110.507 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.8 p -71.99 -29.0 63.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.377 -0.827 . . . . 0.0 112.512 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -53.02 53.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 171.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.82 -34.31 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 123.18 0.592 . . . . 0.0 111.482 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.63 -38.83 87.72 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 121.112 -0.992 . . . . 0.0 112.19 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -63.89 -33.49 75.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.117 0.871 . . . . 0.0 109.865 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -77.72 -54.23 6.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.46 1.027 . . . . 0.0 111.119 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.434 0 O-C-N 120.94 -1.1 . . . . 0.0 112.566 -160.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.14 127.47 32.36 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -174.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -97.0 -15.55 21.02 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.188 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -108.64 -34.73 6.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.556 1.071 . . . . 0.0 111.358 -170.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -78.5 148.07 33.62 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 121.12 -0.987 . . . . 0.0 108.472 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.03 98.89 3.73 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -178.627 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.99 1.52 2.27 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -125.39 118.47 25.95 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.923 0.889 . . . . 0.0 108.783 -173.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.59 162.98 13.4 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.99 2.116 . . . . 0.0 108.612 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 19.3 p90 -152.58 170.1 21.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.085 0.954 . . . . 0.0 109.39 170.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.18 125.29 52.05 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 109.23 168.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.35 176.72 3.53 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.604 1.162 . . . . 0.0 109.284 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -66.68 -18.11 53.22 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.873 1.715 . . . . 0.0 111.736 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -17.61 63.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.293 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 19.21 68.22 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.041 0.837 . . . . 0.0 112.404 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.79 151.57 25.53 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.55 158.93 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 161.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -140.76 165.11 28.4 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 171.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.75 -145.24 16.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 165.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -67.19 170.77 44.81 Favored 'Cis proline' 0 N--CA 1.456 -0.734 0 CA-C-N 118.381 1.09 . . . . 0.0 110.94 -3.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -131.4 163.22 28.38 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.692 1.597 . . . . 0.0 109.148 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 153.89 35.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.686 0.794 . . . . 0.0 109.463 169.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.84 -36.49 81.34 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.268 170.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -55.5 -52.01 65.07 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.6 0.636 . . . . 0.0 110.046 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.96 -51.03 69.75 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.323 0.649 . . . . 0.0 110.758 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.29 -40.58 86.59 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.757 -0.59 . . . . 0.0 111.552 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.3 -49.38 77.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.162 0.585 . . . . 0.0 109.535 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.19 -28.9 69.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.301 0.376 . . . . 0.0 111.419 -174.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -78.35 -34.8 48.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.508 1.123 . . . . 0.0 112.15 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 t -60.13 -35.87 76.23 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.272 0.942 . . . . 0.0 109.708 168.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -45.35 93.91 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.119 1.768 . . . . 0.0 109.558 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.21 10.42 3.64 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.719 . . . . 0.0 113.633 173.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 63.39 12.67 6.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.764 2.026 . . . . 0.0 114.576 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -66.05 9.09 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.014 2.125 . . . . 0.0 114.616 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -142.79 169.79 16.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.529 1.932 . . . . 0.0 108.821 -169.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -89.93 150.78 22.02 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.776 0.831 . . . . 0.0 109.443 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -8.31 37.06 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.912 -1.117 . . . . 0.0 113.59 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.78 86.57 2.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 155.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -95.24 131.12 41.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -108.24 156.58 19.2 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.139 0.881 . . . . 0.0 111.21 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -140.38 157.52 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 125.496 1.518 . . . . 0.0 108.444 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 38.2 p90 -139.14 154.75 48.15 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtm -77.4 158.4 30.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.709 0.766 . . . . 0.0 111.361 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -64.98 105.76 1.1 Allowed 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.638 1.175 . . . . 0.0 110.934 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.7 -14.48 14.68 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.765 1.65 . . . . 0.0 111.328 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.46 173.44 7.91 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 119.311 1.556 . . . . 0.0 110.294 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.72 160.27 15.43 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 165.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.402 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.1 ttm -67.35 -32.93 74.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.663 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.28 -27.52 69.39 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.008 -0.52 . . . . 0.0 112.062 174.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -73.97 3.03 7.39 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.84 0.745 . . . . 0.0 112.23 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.74 150.1 42.13 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 119.887 1.221 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.3 m -124.57 157.34 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 125.792 1.637 . . . . 0.0 107.932 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.5 127.04 29.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.65 -30.16 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.602 0.361 . . . . 0.0 111.032 171.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.38 -31.7 72.64 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.054 -1.029 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.45 -50.99 56.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.8 -37.34 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.133 1.373 . . . . 0.0 110.13 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.62 -53.04 42.77 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.346 1.458 . . . . 0.0 111.365 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -62.7 -47.08 85.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.794 0.438 . . . . 0.0 110.217 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.98 -32.28 73.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.472 0.578 . . . . 0.0 112.366 -176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 125.302 1.441 . . . . 0.0 112.114 179.754 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.63 159.36 28.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.63 1.172 . . . . 0.0 109.758 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -24.2 10.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 -171.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.87 -24.36 2.96 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -158.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 157.51 22.44 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -83.12 102.88 12.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.58 -4.77 2.91 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -121.66 117.7 27.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.506 1.122 . . . . 0.0 109.226 -170.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -92.3 154.39 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 126.456 1.902 . . . . 0.0 109.727 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -139.16 153.41 47.94 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 165.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -90.12 113.32 25.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 171.634 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -67.16 163.2 47.68 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 118.174 0.443 . . . . 0.0 109.872 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.31 -4.86 16.08 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.568 1.512 . . . . 0.0 112.337 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.51 -19.75 52.29 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 120.027 1.285 . . . . 0.0 110.871 169.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.94 4.42 21.06 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.893 1.711 . . . . 0.0 113.163 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.07 133.5 48.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 119.014 1.407 . . . . 0.0 108.991 -166.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -77.2 93.0 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -83.2 160.26 21.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.042 0.925 . . . . 0.0 110.883 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.97 -155.85 20.04 Favored Glycine 0 N--CA 1.438 -1.224 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.762 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.3 169.49 72.89 Favored 'Cis proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.63 -0.987 . . . . 0.0 111.95 11.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -131.02 163.41 27.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 127.411 2.284 . . . . 0.0 106.756 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.8 p -85.92 164.16 17.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.22 -31.0 72.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 123.331 0.653 . . . . 0.0 110.977 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 m -73.36 -39.31 65.26 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.387 0.994 . . . . 0.0 109.772 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.27 -49.86 74.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.487 0.585 . . . . 0.0 110.006 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -67.21 -44.33 79.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.302 1.041 . . . . 0.0 111.13 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -58.39 -45.11 88.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.579 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.48 75.64 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.377 0.99 . . . . 0.0 111.622 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -71.74 -42.48 67.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.52 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 t -59.32 -45.56 90.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.659 0.784 . . . . 0.0 110.282 175.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -53.66 -56.31 18.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.738 2.015 . . . . 0.0 108.759 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.76 11.07 1.84 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.019 2.528 . . . . 0.0 114.622 176.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 51.54 36.17 16.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.895 1.678 . . . . 0.0 114.681 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.93 -12.79 61.4 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.493 -1.379 . . . . 0.0 113.226 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.53 -148.09 0.42 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.068 1.347 . . . . 0.0 108.953 -169.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.9 p -127.3 159.89 33.0 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.458 1.103 . . . . 0.0 108.494 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.93 -53.16 60.63 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 121.461 -0.774 . . . . 0.0 109.186 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.15 35.47 0.32 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.647 1.179 . . . . 0.0 113.466 -172.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -92.57 146.8 23.39 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.212 1.805 . . . . 0.0 110.738 -170.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 162.89 28.12 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.131 0.972 . . . . 0.0 112.962 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.16 154.54 15.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 126.106 1.762 . . . . 0.0 109.664 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.434 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 10.5 p90 -146.53 158.93 43.98 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.266 1.026 . . . . 0.0 110.45 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 mtt -73.54 159.88 32.51 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.374 0.607 . . . . 0.0 111.843 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -60.08 154.0 20.37 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.86 -36.2 1.24 Allowed Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.869 1.7 . . . . 0.0 113.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 170.59 11.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.533 1.167 . . . . 0.0 112.749 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -71.87 145.86 48.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.463 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 24.9 ttm -60.78 -39.0 87.18 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.224 171.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -68.15 -24.2 64.96 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.82 -0.55 . . . . 0.0 112.17 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 m -73.87 4.73 4.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.37 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 161.26 6.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.721 1.146 . . . . 0.0 111.678 173.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.59 169.73 20.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.608 1.563 . . . . 0.0 108.339 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.82 129.12 38.95 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.35 -32.33 56.55 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.864 -0.523 . . . . 0.0 111.321 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 p -65.04 -32.58 74.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.436 0.694 . . . . 0.0 111.194 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -51.01 42.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.4 -41.53 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.694 0.798 . . . . 0.0 111.052 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.96 -47.54 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.746 0.818 . . . . 0.0 113.002 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -71.36 -35.67 71.22 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.24 1.016 . . . . 0.0 111.84 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.18 -36.08 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.383 0.673 . . . . 0.0 110.469 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.238 0.479 0 C-N-CA 123.373 0.669 . . . . 0.0 110.289 175.57 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.24 0.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -74.52 108.45 7.3 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.939 1.296 . . . . 0.0 108.23 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -80.46 -21.9 41.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -103.6 -5.78 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.626 1.171 . . . . 0.0 110.855 -163.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -111.09 149.94 30.1 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.578 0.751 . . . . 0.0 110.106 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -80.41 91.88 5.76 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.39 3.73 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.817 1.247 . . . . 0.0 112.063 -168.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -121.3 145.49 47.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 mt -117.35 153.2 33.41 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.517 1.927 . . . . 0.0 106.539 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -134.76 154.5 51.56 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.05 1.34 . . . . 0.0 109.26 163.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -91.48 126.57 36.61 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 161.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -74.43 -179.04 0.89 Allowed Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.613 0.765 . . . . 0.0 109.299 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.06 -24.94 7.8 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 121.653 1.569 . . . . 0.0 111.718 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.99 -23.51 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.851 1.66 . . . . 0.0 110.517 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.97 5.37 47.3 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.79 1.662 . . . . 0.0 111.796 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.31 132.26 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.689 1.245 . . . . 0.0 107.995 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.6 t -73.31 112.88 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 158.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -80.95 -158.95 0.22 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.564 0.745 . . . . 0.0 109.14 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.05 -169.45 50.05 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.469 -1.395 . . . . 0.0 115.067 146.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 175.53 47.35 Favored 'Cis proline' 0 CA--C 1.539 0.731 0 CA-C-N 117.924 0.862 . . . . 0.0 113.891 7.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -140.47 165.46 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.899 2.08 . . . . 0.0 110.816 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.31 152.85 20.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.778 175.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.43 -45.0 62.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.042 1.337 . . . . 0.0 110.429 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.4 m -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.269 0.628 . . . . 0.0 110.995 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.81 -44.7 76.68 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.141 0.428 . . . . 0.0 110.444 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.8 -42.42 97.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.368 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -59.79 -51.21 70.7 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.294 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.434 1.016 . . . . 0.0 110.616 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -68.63 -42.65 77.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.029 0.931 . . . . 0.0 112.424 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -41.59 97.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.375 0.989 . . . . 0.0 110.258 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.4 -26.76 68.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.389 1.876 . . . . 0.0 111.994 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.15 20.13 14.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.531 1.532 . . . . 0.0 111.394 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 54.13 23.56 4.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.695 2.398 . . . . 0.0 115.017 170.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -65.33 -5.28 6.94 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.167 -0.958 . . . . 0.0 113.179 174.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -131.74 168.15 18.27 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.561 1.544 . . . . 0.0 109.07 -170.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -96.22 173.62 7.3 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.413 1.085 . . . . 0.0 110.095 -170.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -84.52 7.8 18.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.304 1.042 . . . . 0.0 111.089 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -133.7 26.21 4.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.082 1.753 . . . . 0.0 109.066 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -86.23 137.53 32.55 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.115 1.366 . . . . 0.0 109.726 -173.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -126.84 164.43 21.4 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.64 153.03 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.09 1.756 . . . . 0.0 108.18 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.406 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 15.7 p90 -140.95 158.93 43.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 mtt -74.14 157.9 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.479 0.657 . . . . 0.0 109.887 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -57.34 130.15 44.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 122.913 0.485 . . . . 0.0 110.058 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.13 -2.91 59.68 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.296 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -80.22 167.58 20.14 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.954 1.377 . . . . 0.0 108.516 166.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.09 144.14 33.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.582 -0.699 . . . . 0.0 109.126 -177.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.406 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 41.8 ttm -59.35 -27.1 65.62 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 122.298 1.047 . . . . 0.0 111.927 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.251 20.7 mt-10 -79.87 -7.17 58.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.078 1.751 . . . . 0.0 111.985 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -88.37 -1.23 57.92 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.482 1.113 . . . . 0.0 112.603 161.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.53 123.77 20.56 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.507 1.503 . . . . 0.0 111.271 -169.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.79 166.69 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 126.216 1.806 . . . . 0.0 109.493 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.26 130.87 44.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.6 tp -53.34 -33.92 55.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.013 0.525 . . . . 0.0 112.367 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 p -61.73 -41.45 97.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.168 0.587 . . . . 0.0 110.382 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.63 -51.49 59.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.18 -29.95 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.01 -57.28 7.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.412 1.006 . . . . 0.0 110.198 165.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -63.42 -37.56 87.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.18 -19.6 61.77 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.138 -1.601 . . . . 0.0 113.141 169.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 119.754 1.161 . . . . 0.0 111.187 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.75 133.86 43.37 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -17.08 34.69 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.05 -24.7 9.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.521 0.601 . . . . 0.0 111.536 -150.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 150.41 21.62 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.43 1.092 . . . . 0.0 110.943 173.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.47 99.84 7.42 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.186 0.995 . . . . 0.0 109.449 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.1 6.64 2.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -168.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -128.82 129.64 45.88 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.001 0.92 . . . . 0.0 109.345 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.7 mt -110.42 156.81 20.3 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 127.352 2.261 . . . . 0.0 109.692 -173.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.62 150.53 33.42 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.622 0.369 . . . . 0.0 110.847 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -89.54 114.22 25.74 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.767 1.627 . . . . 0.0 107.823 169.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.13 164.66 40.14 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.73 -23.2 56.76 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.731 3.621 . . . . 0.0 112.379 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -75.57 -7.72 54.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.72 0.808 . . . . 0.0 113.166 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.53 73.31 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.984 -1.073 . . . . 0.0 113.357 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.67 127.07 29.73 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.069 1.348 . . . . 0.0 107.73 171.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.51 113.19 14.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 161.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.69 168.76 10.8 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.892 0.877 . . . . 0.0 109.407 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.44 -165.02 36.81 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.65 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.05 169.24 72.62 Favored 'Cis proline' 0 N--CA 1.455 -0.744 0 C-N-CA 124.921 -0.866 . . . . 0.0 112.966 20.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.54 162.23 32.46 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.954 1.301 . . . . 0.0 109.26 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.04 151.21 28.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.315 1.046 . . . . 0.0 108.939 174.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.99 -31.16 72.23 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.378 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.1 m -58.52 -45.66 88.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.022 0.828 . . . . 0.0 111.209 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.92 -42.24 81.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.654 0.661 . . . . 0.0 109.913 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.79 -43.34 89.04 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.255 0.622 . . . . 0.0 110.42 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -54.83 -53.52 54.27 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.616 0.644 . . . . 0.0 109.625 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.25 68.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.322 -0.371 . . . . 0.0 111.791 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.05 -30.33 26.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.271 0.941 . . . . 0.0 113.075 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.8 t -60.94 -47.71 85.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.351 0.978 . . . . 0.0 108.665 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.3 -40.32 81.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.568 1.947 . . . . 0.0 110.289 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.29 10.06 9.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.196 1.798 . . . . 0.0 114.2 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 59.46 24.4 13.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.003 2.121 . . . . 0.0 115.019 174.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -70.16 -0.53 7.99 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.335 -1.478 . . . . 0.0 113.419 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 51' ' ' PHE . 19.9 m-85 -131.71 -178.44 4.87 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.05 1.34 . . . . 0.0 111.978 -164.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -121.24 164.2 17.34 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.674 1.59 . . . . 0.0 110.959 -167.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.83 -26.9 66.18 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.582 -0.698 . . . . 0.0 112.402 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -120.04 39.86 3.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.124 0.97 . . . . 0.0 109.681 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 47' ' ' PHE . 23.2 t80 -75.98 107.53 8.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.76 167.34 11.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 120.851 -1.156 . . . . 0.0 109.943 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.2 153.16 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.281 1.032 . . . . 0.0 108.664 167.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.421 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 23.3 p90 -120.7 159.93 24.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.763 0.825 . . . . 0.0 109.408 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 41.5 mtt -70.98 155.12 41.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.403 0.621 . . . . 0.0 110.946 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.8 p -57.66 137.87 55.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 165.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.23 77.99 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-O 117.713 -1.604 . . . . 0.0 114.552 -176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.76 170.52 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.039 2.42 . . . . 0.0 110.694 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -79.12 148.77 32.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.368 2.267 . . . . 0.0 110.067 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.421 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.2 ttm -63.88 -30.23 71.34 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.551 -0.718 . . . . 0.0 111.1 172.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.25 -19.39 65.51 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.451 -1.406 . . . . 0.0 111.823 173.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -9.76 59.03 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.117 0.871 . . . . 0.0 111.657 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 119.91 10.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 119.433 1.015 . . . . 0.0 111.222 -169.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.88 158.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.464 1.506 . . . . 0.0 109.64 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' H ' ' CD2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -64.82 124.25 21.48 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.381 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.1 tp -52.44 -25.81 11.04 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 165.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -79.99 -24.91 40.54 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.169 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.07 -46.66 22.9 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.11 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 118.704 0.684 . . . . 0.0 111.386 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.8 -20.45 61.56 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.041 -1.037 . . . . 0.0 113.06 170.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -89.17 -47.65 7.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.791 1.237 . . . . 0.0 110.879 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.87 -14.09 41.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 111.693 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.452 -0.342 0 C-N-CA 126.977 2.111 . . . . 0.0 109.03 175.603 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.841 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m 57.63 48.08 14.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.328 1.064 . . . . 0.0 112.392 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -62.75 164.94 7.12 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.781 0.832 . . . . 0.0 111.005 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.48 -139.77 4.02 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 105.17 111.26 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 C-N-CA 130.072 3.349 . . . . 0.0 107.2 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -76.54 -26.43 55.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.781 0.833 . . . . 0.0 111.396 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.71 -160.92 22.23 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -165.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.2 94.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 126.113 1.765 . . . . 0.0 108.007 169.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -71.69 161.03 31.62 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 125.248 1.419 . . . . 0.0 108.982 169.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 148.85 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 151.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.26 147.23 50.63 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 169.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.04 160.29 39.08 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 126.178 1.791 . . . . 0.0 109.424 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -97.82 101.75 13.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.24 116.35 28.88 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 124.729 1.212 . . . . 0.0 107.842 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.49 2.14 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.11 167.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -112.24 -61.74 1.67 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 124.477 1.111 . . . . 0.0 108.831 -166.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 153.81 35.46 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.971 0.805 . . . . 0.0 110.615 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.88 99.62 9.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.9 -0.72 4.76 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -125.26 118.22 25.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.691 1.132 . . . . 0.0 109.829 -169.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -90.76 157.68 17.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.522 1.929 . . . . 0.0 108.613 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -145.03 154.38 42.45 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.691 0.396 . . . . 0.0 110.079 166.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 2.2 tttt -96.14 121.81 38.31 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.76 1.624 . . . . 0.0 108.872 172.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -78.54 174.11 6.58 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.104 1.362 . . . . 0.0 111.343 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -84.34 -3.29 10.14 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.87 2.38 . . . . 0.0 113.603 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -25.04 60.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.596 1.089 . . . . 0.0 109.487 160.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.37 -2.39 26.56 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.017 2.246 . . . . 0.0 112.438 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.8 143.2 28.42 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 119.326 1.563 . . . . 0.0 109.285 -171.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.5 t -81.72 130.03 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 168.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -113.66 176.1 5.17 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.078 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.41 -156.49 27.0 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 121.977 -0.452 . . . . 0.0 112.461 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.26 171.45 68.03 Favored 'Cis proline' 0 N--CA 1.454 -0.815 0 CA-C-N 118.244 1.022 . . . . 0.0 112.258 9.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -131.8 162.1 31.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.8 2.04 . . . . 0.0 108.187 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -86.67 161.65 18.34 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.86 -29.53 70.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.05 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.9 m -58.02 -42.7 85.85 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.234 1.834 . . . . 0.0 110.775 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -70.15 -55.58 9.02 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.78 -41.6 82.38 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.727 0.411 . . . . 0.0 110.75 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -56.94 -58.21 9.15 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.964 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.0 72.84 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 118.904 0.774 . . . . 0.0 111.271 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -65.51 -41.16 93.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.124 0.969 . . . . 0.0 111.532 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -65.31 -20.71 66.52 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.145 -0.972 . . . . 0.0 112.045 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.62 -6.37 40.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.455 2.302 . . . . 0.0 111.565 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.83 9.97 13.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.153 1.781 . . . . 0.0 114.876 -173.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 57.74 38.61 27.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 113.653 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -82.35 -24.05 34.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.012 -1.055 . . . . 0.0 111.837 167.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -134.08 176.57 8.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 110.537 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.5 p -121.12 163.95 17.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.802 1.241 . . . . 0.0 108.399 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -54.66 -37.1 65.3 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.358 -0.839 . . . . 0.0 113.007 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -85.88 69.14 10.54 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 108.337 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -133.04 98.5 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 126.449 1.9 . . . . 0.0 107.769 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -87.62 161.66 17.57 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.157 -0.965 . . . . 0.0 111.561 170.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 141.27 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 127.55 2.34 . . . . 0.0 108.005 -173.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.429 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 13.0 p90 -132.52 157.29 45.06 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.637 1.175 . . . . 0.0 109.243 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 49.2 mtm -79.24 160.13 27.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 122.147 0.975 . . . . 0.0 112.046 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -61.01 97.44 0.06 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.182 2.193 . . . . 0.0 111.94 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.07 0.2 41.43 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 118.712 -1.049 . . . . 0.0 112.538 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.59 172.89 13.03 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 119.1 1.45 . . . . 0.0 108.284 164.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 m -72.27 143.73 48.65 Favored 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 124.273 1.029 . . . . 0.0 109.556 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.466 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 40.9 ttm -58.05 -23.74 55.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.834 0.826 . . . . 0.0 110.993 170.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -89.76 -17.39 28.32 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.531 1.132 . . . . 0.0 113.534 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 p -77.84 2.59 16.75 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.488 1.495 . . . . 0.0 111.031 162.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 123.45 14.89 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.314 -0.867 . . . . 0.0 110.666 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.71 164.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 108.559 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.0 mt -67.72 127.63 33.5 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.4 tp -50.75 -37.53 42.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.745 1.218 . . . . 0.0 111.538 173.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -15.5 61.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.174 -0.954 . . . . 0.0 110.919 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.2 -33.49 14.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.059 -1.026 . . . . 0.0 112.32 169.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.52 -42.42 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.789 1.177 . . . . 0.0 110.146 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.31 -33.06 67.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.687 1.595 . . . . 0.0 113.782 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -85.49 -37.08 20.11 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.123 0.874 . . . . 0.0 110.887 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.59 -52.35 63.75 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 124.763 1.225 . . . . 0.0 109.713 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t -111.71 105.93 14.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.74 -173.47 45.76 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 108.919 -1.673 . . . . 0.0 108.919 -173.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -67.82 147.63 75.38 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.505 2.137 . . . . 0.0 112.107 -175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -81.05 179.15 8.0 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.333 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t 56.11 84.97 0.08 Allowed 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.539 1.935 . . . . 0.0 110.504 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -172.318 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.788 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -108.04 128.63 54.83 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -138.26 176.09 9.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.942 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.94 173.19 38.89 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t -61.89 115.7 4.25 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.46 -1.024 . . . . 0.0 108.445 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -157.04 165.57 35.75 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.743 1.617 . . . . 0.0 107.336 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 -85.04 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.217 -2.353 . . . . 0.0 107.217 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.46 90.93 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.618 1.167 . . . . 0.0 108.472 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -137.78 149.75 46.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.855 2.462 . . . . 0.0 106.468 168.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.87 162.04 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -134.09 109.0 8.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.36 1.464 . . . . 0.0 108.184 170.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -75.54 132.23 40.58 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.12 146.29 49.29 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -101.2 98.83 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.501 1.52 . . . . 0.0 109.968 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -89.8 -26.93 20.32 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.927 -164.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.71 -34.74 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.986 0.812 . . . . 0.0 110.864 -168.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -66.23 160.93 23.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.693 0.678 . . . . 0.0 109.231 169.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.16 98.05 8.79 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.36 6.1 5.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -124.82 144.71 50.14 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.71 0.804 . . . . 0.0 110.075 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.0 mt -122.11 158.98 28.1 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 127.434 2.293 . . . . 0.0 107.37 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -147.57 158.9 44.2 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.62 122.55 44.63 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.445 0.698 . . . . 0.0 109.51 171.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 165.72 42.11 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.21 -29.47 46.64 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 124.481 3.454 . . . . 0.0 113.232 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -64.32 -13.57 50.92 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.353 1.061 . . . . 0.0 111.564 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.5 -10.82 67.0 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 126.496 1.998 . . . . 0.0 112.711 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.94 128.3 35.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.11 125.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 153.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -110.35 162.67 14.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.974 0.91 . . . . 0.0 110.975 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.86 -147.44 16.32 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.415 170.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.7 167.99 72.19 Favored 'Cis proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.597 -1.001 . . . . 0.0 112.68 1.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.53 161.26 35.07 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.943 1.697 . . . . 0.0 108.553 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -82.25 155.73 24.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.855 0.862 . . . . 0.0 110.074 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 mt -56.92 -41.87 78.95 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.958 171.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -60.76 -45.55 93.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.021 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.31 -52.27 65.99 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.439 1.018 . . . . 0.0 110.498 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.67 -37.94 71.52 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.066 0.394 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -67.18 -62.16 1.57 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.237 1.015 . . . . 0.0 109.752 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.65 -18.65 62.71 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -173.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -76.82 -50.89 12.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.317 1.047 . . . . 0.0 110.939 168.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -58.47 -40.78 83.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.509 1.049 . . . . 0.0 110.624 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -72.0 -7.31 47.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.111 1.764 . . . . 0.0 112.194 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.93 7.4 16.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.576 1.55 . . . . 0.0 111.639 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.255 61.7 mm-40 60.77 50.85 5.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.849 2.06 . . . . 0.0 114.194 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.07 -12.08 55.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 165.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -126.55 -157.2 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.714 1.143 . . . . 0.0 109.714 -170.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.3 p -137.18 166.61 23.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.791 1.236 . . . . 0.0 109.446 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.64 96.46 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.221 -0.924 . . . . 0.0 110.994 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.21 16.93 0.68 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.099 1.36 . . . . 0.0 112.808 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -72.6 107.82 5.3 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 119.938 -1.726 . . . . 0.0 109.369 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -90.32 159.89 16.41 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.676 -1.265 . . . . 0.0 110.33 168.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 m -140.07 155.68 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.613 1.965 . . . . 0.0 108.129 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -137.59 165.6 25.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.661 0.664 . . . . 0.0 110.04 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.4 mtt -81.24 156.82 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.425 0.631 . . . . 0.0 112.633 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -60.53 118.12 6.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.744 0.818 . . . . 0.0 109.979 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.41 4.32 90.0 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.839 -1.534 . . . . 0.0 113.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.23 166.79 11.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.342 1.571 . . . . 0.0 108.892 164.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.82 151.32 30.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.443 1.897 . . . . 0.0 109.956 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -68.02 -33.03 73.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.39 0.676 . . . . 0.0 111.018 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.44 -14.14 62.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.802 0.841 . . . . 0.0 111.862 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 13.23 26.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.008 1.323 . . . . 0.0 110.523 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.5 160.87 12.85 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.043 0.925 . . . . 0.0 110.525 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.95 155.67 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 127.199 2.199 . . . . 0.0 107.064 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.02 131.13 43.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.63 -31.81 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.117 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.2 p -63.75 -33.98 76.86 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.339 0.972 . . . . 0.0 111.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -51.63 26.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.24 -42.32 65.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.189 0.996 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mp -55.06 -51.89 64.92 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.744 1.217 . . . . 0.0 111.268 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -69.25 -21.76 63.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.583 -0.698 . . . . 0.0 112.736 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -81.16 -8.46 59.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.526 1.13 . . . . 0.0 112.537 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 p -123.21 -45.8 2.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.086 1.312 . . . . 0.0 110.729 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.4 170.18 12.92 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.705 -0.622 . . . . 0.0 111.778 156.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.28 169.3 20.36 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.477 2.785 . . . . 0.0 112.761 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.7 86.84 7.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 172.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t 72.23 146.32 0.08 Allowed 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 127.582 2.353 . . . . 0.0 109.843 -165.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.382 0 N-CA-C 105.919 -2.873 . . . . 0.0 105.919 147.212 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m 37.1 52.99 1.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.557 2.343 . . . . 0.0 113.517 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -154.56 166.98 31.61 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.886 1.674 . . . . 0.0 107.657 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.21 -156.35 19.97 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -140.93 131.35 25.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 117.471 0.635 . . . . 0.0 110.16 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -87.3 108.72 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.467 1.507 . . . . 0.0 108.278 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.46 -96.42 0.11 Allowed Glycine 0 C--N 1.333 0.381 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 m -76.6 57.08 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.727 2.011 . . . . 0.0 112.606 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -60.05 145.41 46.58 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.01 -1.057 . . . . 0.0 108.729 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -79.58 153.37 4.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.84 86.14 1.05 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.5 0.72 . . . . 0.0 111.164 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -74.46 133.85 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.82 107.99 2.38 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 166.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.24 99.93 1.61 Allowed 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.051 0.844 . . . . 0.0 109.463 -174.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.27 -31.69 12.29 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -171.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.03 -2.38 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.989 1.316 . . . . 0.0 112.168 -164.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.8 145.43 49.06 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 96.3 0.31 Allowed 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 125.086 1.354 . . . . 0.0 110.218 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.51 1.85 2.65 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -169.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -129.75 127.76 41.06 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.569 0.748 . . . . 0.0 110.203 -171.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.2 mt -104.47 158.33 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 127.46 2.304 . . . . 0.0 108.736 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 16.1 p90 -149.12 167.41 25.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.575 -0.726 . . . . 0.0 109.431 173.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -108.9 114.33 28.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.941 1.297 . . . . 0.0 111.172 171.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.37 165.89 49.31 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.86 -4.23 15.09 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 124.415 3.41 . . . . 0.0 112.113 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.97 -23.65 67.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 164.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.29 30.6 58.46 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -170.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.6 166.44 10.42 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.773 1.229 . . . . 0.0 107.914 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -117.12 92.62 2.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -67.88 176.42 2.57 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.595 0.712 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.62 -160.29 28.87 Favored Glycine 0 CA--C 1.524 0.631 0 O-C-N 121.562 -0.711 . . . . 0.0 112.877 166.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.95 170.37 70.88 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 CA-C-N 117.94 0.87 . . . . 0.0 112.998 9.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -135.08 151.93 51.2 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.683 1.593 . . . . 0.0 109.882 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 144.59 39.9 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.928 0.891 . . . . 0.0 108.693 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.1 -33.53 69.2 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.582 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -70.77 -34.14 71.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.965 0.802 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.14 -49.16 65.78 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -58.19 -41.06 83.09 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.288 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -60.19 -49.63 76.87 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.872 174.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.97 76.81 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.955 0.798 . . . . 0.0 111.419 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -70.29 -38.59 75.05 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.006 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -47.23 80.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.068 0.947 . . . . 0.0 110.176 170.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.33 -17.59 64.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.008 1.723 . . . . 0.0 111.773 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.56 12.03 35.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.436 1.895 . . . . 0.0 110.916 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 61.22 23.29 13.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.283 2.233 . . . . 0.0 112.903 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -75.37 -0.81 21.13 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.21 155.69 49.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.759 1.163 . . . . 0.0 108.704 -168.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.6 p -79.51 151.33 30.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.828 -162.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -65.48 -3.91 5.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -170.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -140.12 70.69 1.36 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.514 1.926 . . . . 0.0 108.046 157.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.91 117.36 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.21 1.404 . . . . 0.0 109.343 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -95.03 155.69 16.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 120.067 1.303 . . . . 0.0 110.957 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.19 156.17 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 126.074 1.75 . . . . 0.0 108.603 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.459 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 16.3 p90 -129.68 159.01 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mtt -71.61 166.05 22.66 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.2 0.524 . . . . 0.0 110.117 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -61.31 146.63 47.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.345 0.593 . . . . 0.0 110.244 172.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.18 -36.22 1.1 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.557 1.551 . . . . 0.0 114.33 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.99 161.98 6.11 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.812 1.306 . . . . 0.0 111.158 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -86.31 160.6 19.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.773 0.797 . . . . 0.0 109.562 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.459 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 2.1 ttm -73.61 -25.65 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.692 0.797 . . . . 0.0 111.628 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.14 -8.57 32.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.239 0.616 . . . . 0.0 112.048 164.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 12.32 33.14 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.647 1.979 . . . . 0.0 110.643 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.0 166.7 17.47 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.749 -1.219 . . . . 0.0 111.707 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.96 162.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 126.918 2.087 . . . . 0.0 108.175 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.8 mt -73.62 123.9 24.9 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -50.39 -32.88 18.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.996 0.918 . . . . 0.0 111.038 173.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.9 p -71.93 -27.97 63.16 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.759 1.163 . . . . 0.0 112.223 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -47.28 60.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.1 t -62.13 -31.54 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -43.77 79.47 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.688 1.595 . . . . 0.0 111.168 174.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -54.46 16.0 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 124.432 1.093 . . . . 0.0 109.868 173.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.52 74.04 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.044 0.537 . . . . 0.0 111.927 -166.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m -93.33 47.37 1.25 Allowed 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.465 1.106 . . . . 0.0 110.907 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 169.95 -178.57 42.76 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 126.273 1.892 . . . . 0.0 108.492 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.9 148.15 69.97 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.369 1.38 . . . . 0.0 109.406 166.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -72.63 -35.56 67.83 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.676 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m 55.39 66.22 1.28 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 126.18 1.792 . . . . 0.0 111.424 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.675 0 CA-C-O 118.261 -1.3 . . . . 0.0 110.781 175.105 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.668 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -138.86 171.2 14.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.46 1.13 . . . . 0.0 111.087 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -71.3 -179.76 2.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.061 0.934 . . . . 0.0 109.282 165.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.15 87.38 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -134.6 50.05 2.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 125.587 1.555 . . . . 0.0 110.041 -163.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -58.74 177.16 0.15 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.984 151.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.6 -121.87 2.49 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER 69.56 153.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 126.095 1.758 . . . . 0.0 110.781 176.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -90.83 67.79 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.317 1.047 . . . . 0.0 109.794 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 t -121.97 141.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 166.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.85 69.77 0.75 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 109.224 171.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -74.36 154.15 38.97 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -114.07 101.31 9.11 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 158.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.95 147.38 50.66 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 167.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -128.41 5.66 5.73 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -113.96 -52.12 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.447 0.699 . . . . 0.0 110.294 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -62.78 158.52 18.53 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.768 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.5 mt -91.3 109.22 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.72 -2.27 1.75 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.169 -0.92 . . . . 0.0 113.27 -168.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -125.56 126.7 45.23 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.084 0.954 . . . . 0.0 110.618 -173.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.59 160.26 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.408 1.883 . . . . 0.0 108.435 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -145.02 150.51 37.0 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.669 0.271 . . . . 0.0 110.384 166.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -90.44 117.22 28.97 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 170.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -73.77 174.03 5.46 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.263 0.625 . . . . 0.0 110.17 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.72 -7.44 16.62 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.809 1.673 . . . . 0.0 112.93 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.21 -4.44 58.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.822 1.649 . . . . 0.0 110.127 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.47 14.71 81.86 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.281 0.943 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.53 142.88 27.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.54 129.27 37.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 161.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -106.66 162.45 13.75 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.25 -172.02 21.01 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.402 0.525 . . . . 0.0 112.597 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.22 168.87 68.62 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.016 -1.243 . . . . 0.0 113.148 18.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.77 164.38 27.67 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 127.543 2.337 . . . . 0.0 109.271 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -81.96 155.14 25.38 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 123.638 0.586 . . . . 0.0 110.462 170.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.06 -33.47 75.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.581 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -63.56 -45.83 88.68 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.195 0.907 . . . . 0.0 109.519 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -64.48 -44.24 91.63 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.29 0.95 . . . . 0.0 111.722 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.9 -40.9 90.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.914 0.779 . . . . 0.0 111.301 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -60.32 -59.97 4.57 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.57 1.148 . . . . 0.0 110.003 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.11 65.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.704 0.801 . . . . 0.0 112.045 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.1 -40.88 59.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.111 -0.947 . . . . 0.0 112.372 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.48 -39.75 94.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.422 1.01 . . . . 0.0 109.578 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.71 -50.58 72.72 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.517 1.527 . . . . 0.0 108.631 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.46 15.23 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.604 1.962 . . . . 0.0 114.831 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 65.69 12.98 8.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.221 1.808 . . . . 0.0 114.715 172.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.3 -9.79 58.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -121.53 -173.47 2.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.702 1.137 . . . . 0.0 111.032 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -129.24 168.46 16.17 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.416 0.687 . . . . 0.0 110.147 -167.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -63.5 -26.88 68.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.783 0.802 . . . . 0.0 112.06 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -108.87 28.78 8.1 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.206 1.002 . . . . 0.0 110.199 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -79.34 139.55 37.76 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -132.89 158.36 42.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.025 1.33 . . . . 0.0 110.384 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.82 158.16 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.521 0.729 . . . . 0.0 110.08 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.446 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 9.7 p90 -136.46 155.41 50.03 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.648 1.579 . . . . 0.0 108.092 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.6 mtm -78.94 164.82 24.1 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.508 0.595 . . . . 0.0 111.213 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -58.83 149.96 25.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.69 -21.71 1.2 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-O 117.842 -1.532 . . . . 0.0 115.427 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -75.87 174.37 9.98 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 120.791 2.296 . . . . 0.0 110.145 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.92 144.33 33.47 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.308 1.043 . . . . 0.0 109.715 168.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.446 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 44.6 ttm -61.1 -40.14 92.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.763 0.425 . . . . 0.0 110.116 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -74.61 -12.79 60.54 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.468 -0.77 . . . . 0.0 111.559 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.0 -2.51 30.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.94 166.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 144.84 37.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.811 0.732 . . . . 0.0 110.346 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 m -110.84 164.82 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.796 2.038 . . . . 0.0 108.793 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.22 133.25 50.24 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 120.129 -1.607 . . . . 0.0 109.3 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.17 -28.28 66.46 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.057 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.7 p -67.31 -39.54 85.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 119.597 1.089 . . . . 0.0 112.15 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.2 -49.62 76.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.25 -40.72 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 123.08 0.552 . . . . 0.0 110.598 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -16.37 62.46 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.706 -1.246 . . . . 0.0 113.824 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -87.72 -49.97 6.79 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.915 0.886 . . . . 0.0 109.824 167.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.35 -25.85 66.16 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.478 1.111 . . . . 0.0 111.37 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m -84.1 78.68 9.72 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.236 1.414 . . . . 0.0 109.228 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.01 161.57 25.16 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.992 0.806 . . . . 0.0 111.288 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -80.6 79.08 3.43 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.901 3.068 . . . . 0.0 110.763 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.8 t -118.05 150.47 39.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 163.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -153.37 91.09 1.47 Allowed 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 163.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.076 -2.513 . . . . 0.0 111.664 -170.244 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 106.714 -2.554 . . . . 0.0 106.714 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 168.51 0.5 Allowed 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.84 0.856 . . . . 0.0 110.535 154.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -141.89 -178.2 5.57 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.672 1.189 . . . . 0.0 108.598 163.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.61 135.07 5.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.559 -1.817 . . . . 0.0 108.559 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -140.98 -50.77 0.44 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.095 1.358 . . . . 0.0 107.917 170.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -64.18 171.71 2.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.282 0.633 . . . . 0.0 109.923 162.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 98.96 0.18 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.5 t -80.8 64.58 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.334 1.054 . . . . 0.0 108.761 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 150.97 41.05 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.179 -0.951 . . . . 0.0 110.267 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.83 167.15 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 175.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -94.32 67.86 3.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 122.051 0.929 . . . . 0.0 112.167 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 m -75.31 134.51 41.03 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 163.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -74.77 101.33 4.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 160.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 105.26 10.24 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -70.29 -31.31 68.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.329 -1.349 . . . . 0.0 112.189 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.88 -35.85 23.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.986 0.812 . . . . 0.0 109.672 -165.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -72.81 141.62 48.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.58 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.58 106.22 12.43 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -140.58 4.53 1.96 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -118.23 119.23 34.06 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 123.433 0.693 . . . . 0.0 109.875 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.31 156.64 18.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 127.354 2.261 . . . . 0.0 108.419 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 17.4 p90 -153.63 165.65 35.27 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 167.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -107.7 113.98 27.63 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.857 0.863 . . . . 0.0 108.723 168.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.65 173.7 0.96 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.955 1.302 . . . . 0.0 108.533 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.92 39.02 0.76 Allowed 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.617 3.545 . . . . 0.0 110.401 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -125.25 -15.73 6.16 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.268 2.227 . . . . 0.0 110.757 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.34 -1.54 76.7 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.371 1.939 . . . . 0.0 114.945 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.51 143.14 29.25 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.627 2.371 . . . . 0.0 110.022 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.84 97.36 3.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -74.29 157.7 35.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.7 -175.88 16.77 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 122.041 -0.412 . . . . 0.0 113.882 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.61 170.87 59.43 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.855 -0.894 . . . . 0.0 112.951 8.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.97 165.51 25.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.589 1.955 . . . . 0.0 110.09 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -80.49 152.73 28.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.705 1.202 . . . . 0.0 109.378 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.14 -32.53 74.26 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.477 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.7 m -60.13 -53.67 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.543 0.61 . . . . 0.0 109.801 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.98 -48.8 80.27 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.691 0.678 . . . . 0.0 109.676 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.62 -44.33 85.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.497 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -62.68 -53.61 51.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.683 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.5 68.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.783 0.72 . . . . 0.0 111.852 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -73.22 -43.21 61.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.464 0.705 . . . . 0.0 111.097 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.45 99.14 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.702 0.683 . . . . 0.0 110.622 174.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.03 -30.39 59.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.721 2.008 . . . . 0.0 110.58 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.6 7.55 45.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.801 1.641 . . . . 0.0 112.527 -175.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 62.97 21.01 12.64 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.072 1.749 . . . . 0.0 112.791 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -75.46 -3.52 34.39 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.004 -1.06 . . . . 0.0 112.644 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.53 171.65 10.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 119.561 1.073 . . . . 0.0 110.115 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -101.91 155.37 18.2 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.067 -165.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -61.1 -9.13 4.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.616 1.566 . . . . 0.0 112.694 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.62 34.12 4.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.663 1.585 . . . . 0.0 111.139 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.72 142.56 48.19 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.232 -0.917 . . . . 0.0 110.5 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -130.06 159.89 35.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 111.752 172.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.33 149.73 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 125.43 1.492 . . . . 0.0 107.807 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 20.0 p90 -127.01 157.1 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 172.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.8 mtm -78.63 169.66 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 110.173 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -62.19 154.2 28.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.337 0.589 . . . . 0.0 111.018 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.76 -24.15 0.4 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.084 1.802 . . . . 0.0 114.275 -176.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.28 173.38 10.28 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 119.055 1.427 . . . . 0.0 111.946 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.7 149.46 25.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.241 1.817 . . . . 0.0 110.311 172.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.455 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 1.6 ttp -64.04 -25.2 68.01 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.651 170.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.84 -8.57 56.15 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.827 -1.17 . . . . 0.0 111.61 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.55 27.8 8.46 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.917 2.087 . . . . 0.0 108.292 173.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.26 131.64 37.31 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.174 1.39 . . . . 0.0 110.604 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.17 161.0 3.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 125.644 1.578 . . . . 0.0 109.877 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.09 125.12 22.76 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.7 tp -51.32 -36.0 40.65 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.907 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -18.1 61.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.844 1.258 . . . . 0.0 112.462 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -79.19 -54.85 5.57 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.402 1.481 . . . . 0.0 107.564 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.6 t -52.26 -40.18 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.251 1.421 . . . . 0.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -44.31 63.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.264 1.425 . . . . 0.0 112.242 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -71.59 -45.98 60.62 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.985 0.914 . . . . 0.0 110.364 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.9 mt -53.93 -50.06 67.28 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.521 0.729 . . . . 0.0 110.507 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p -67.22 98.82 0.64 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.038 1.335 . . . . 0.0 111.111 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.25 155.51 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.11 96.99 0.81 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.963 2.442 . . . . 0.0 108.296 157.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 p -157.04 175.96 13.39 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.483 1.113 . . . . 0.0 112.163 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 p -104.87 -12.43 16.26 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.191 2.196 . . . . 0.0 112.2 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 N-CA-C 104.607 -3.397 . . . . 0.0 104.607 157.878 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.73 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 107.15 0.75 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.888 0.875 . . . . 0.0 109.705 -174.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -25.97 3.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.988 1.715 . . . . 0.0 110.78 -172.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.78 10.92 14.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.202 1.382 . . . . 0.0 115.872 164.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -109.04 76.21 0.99 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.846 1.823 . . . . 0.0 108.578 -166.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.82 116.84 9.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.5 -157.9 12.61 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.252 0.93 . . . . 0.0 111.251 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -61.4 82.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.235 1.814 . . . . 0.0 111.717 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.88 127.77 33.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.356 1.462 . . . . 0.0 109.192 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.72 152.96 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 150.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.0 mt -144.87 122.23 11.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -128.39 121.85 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.388 1.475 . . . . 0.0 107.113 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -63.5 102.3 0.41 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.612 1.165 . . . . 0.0 108.949 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.92 120.91 21.1 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.873 0.844 . . . . 0.0 110.996 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.03 -27.34 18.69 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.519 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.66 25.98 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.152 0.981 . . . . 0.0 110.285 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 148.32 51.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.526 -1.359 . . . . 0.0 107.41 166.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.11 95.18 4.84 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -137.94 10.12 2.83 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.385 0.674 . . . . 0.0 112.771 -168.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -135.28 155.25 50.93 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.606 1.162 . . . . 0.0 109.288 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.8 mt -131.33 162.45 30.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 127.417 2.287 . . . . 0.0 108.096 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 p90 -149.36 161.89 41.17 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 165.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.51 44.22 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -76.05 168.4 28.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 122.847 0.459 . . . . 0.0 110.097 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.6 -11.07 15.71 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.259 1.973 . . . . 0.0 112.49 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.11 -35.93 74.48 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.007 0.923 . . . . 0.0 109.698 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.38 7.11 3.63 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.503 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.08 133.5 51.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.142 1.377 . . . . 0.0 108.395 -167.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.33 109.11 6.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -86.8 165.16 16.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.351 0.596 . . . . 0.0 109.621 175.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.32 -148.74 18.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.902 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.5 172.09 36.39 Favored 'Cis proline' 0 N--CA 1.453 -0.874 0 C-N-CA 124.144 -1.19 . . . . 0.0 112.648 -2.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -137.4 157.23 47.04 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 125.801 1.641 . . . . 0.0 109.845 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.08 148.78 25.55 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.12 1.768 . . . . 0.0 110.605 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.29 -27.12 67.68 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 118.826 -1.15 . . . . 0.0 110.468 -172.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -64.72 -41.32 96.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.76 0.709 . . . . 0.0 110.181 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -66.09 -53.21 40.91 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.01 -44.54 82.91 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.085 0.402 . . . . 0.0 111.573 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -61.39 -52.68 63.58 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.222 0.609 . . . . 0.0 109.835 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.1 -22.85 67.01 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -83.68 -28.87 28.04 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.942 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -62.92 -44.65 95.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.421 1.009 . . . . 0.0 108.444 166.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.99 -19.49 65.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.591 2.356 . . . . 0.0 111.877 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.86 7.31 28.07 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.918 1.687 . . . . 0.0 111.173 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.84 15.36 5.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.672 1.589 . . . . 0.0 114.975 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -67.98 11.45 0.15 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.854 1.662 . . . . 0.0 112.96 166.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -139.74 158.56 43.91 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.444 1.897 . . . . 0.0 108.333 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -80.74 167.97 19.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 110.177 -176.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -71.67 -31.73 67.1 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.173 -0.955 . . . . 0.0 112.083 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -106.69 39.6 1.81 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.251 1.42 . . . . 0.0 111.372 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -78.2 142.03 38.22 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 120.895 -1.128 . . . . 0.0 111.345 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.46 157.73 31.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.557 -0.714 . . . . 0.0 112.751 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.61 160.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 127.317 2.247 . . . . 0.0 108.793 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 32.4 p90 -140.51 160.22 40.48 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.718 0.807 . . . . 0.0 108.934 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.8 mtt -71.02 158.22 36.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.499 0.72 . . . . 0.0 111.28 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 p -57.81 138.61 55.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.918 -0.489 . . . . 0.0 110.278 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.83 -31.42 2.78 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 117.772 -1.571 . . . . 0.0 112.929 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.73 168.34 19.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.947 1.874 . . . . 0.0 112.069 -170.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -73.67 126.19 29.76 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 125.365 1.466 . . . . 0.0 110.527 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.515 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 20.0 ttm -53.13 -37.51 61.86 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.675 0.79 . . . . 0.0 110.634 163.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.0 -9.15 35.73 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.42 19.57 14.66 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.559 1.072 . . . . 0.0 110.447 172.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.09 160.11 2.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.292 1.437 . . . . 0.0 110.866 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 m -128.01 159.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.867 1.267 . . . . 0.0 109.157 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.15 119.88 9.81 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 tp -48.95 -36.51 17.62 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.943 0.777 . . . . 0.0 110.164 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 p -68.48 -23.6 64.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.845 0.858 . . . . 0.0 112.141 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -29.56 21.7 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.307 -0.871 . . . . 0.0 110.43 171.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.81 -36.08 68.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 O-C-N 120.744 -1.223 . . . . 0.0 109.368 168.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.9 -25.77 68.47 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.216 1.406 . . . . 0.0 113.804 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -81.2 -40.91 23.13 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.348 1.059 . . . . 0.0 110.163 171.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.12 -34.64 78.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.774 0.83 . . . . 0.0 110.214 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -68.81 112.95 5.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.95 154.06 25.31 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.44 96.19 1.03 Allowed 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.125 2.55 . . . . 0.0 108.756 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -140.64 133.84 29.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.29 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 m -113.95 172.04 7.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.043 1.737 . . . . 0.0 109.113 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.798 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -174.187 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.87 0 CA-C-O 118.704 -1.053 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -62.59 90.69 0.04 OUTLIER 'General case' 0 C--O 1.232 0.179 0 C-N-CA 125.279 1.431 . . . . 0.0 109.867 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -93.2 176.44 6.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.152 1.381 . . . . 0.0 109.553 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.99 124.19 33.33 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -115.25 174.17 6.13 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.947 1.699 . . . . 0.0 107.912 162.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -150.99 112.07 4.33 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 121.126 -0.984 . . . . 0.0 109.243 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.45 -107.72 2.41 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.883 -0.954 . . . . 0.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.0 t -51.12 107.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 126.588 1.955 . . . . 0.0 110.917 -162.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.78 170.57 7.91 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.019 1.728 . . . . 0.0 110.539 173.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -139.11 150.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 161.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 mt -139.7 118.36 12.32 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -120.71 142.14 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -70.11 115.2 9.04 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.86 138.95 55.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 167.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -133.21 -27.55 1.59 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.634 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.93 -24.99 20.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.96 0.904 . . . . 0.0 111.582 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -88.02 158.13 18.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.11 96.37 9.42 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -134.88 -6.58 2.41 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.73 116.68 31.14 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.11 0.868 . . . . 0.0 110.351 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.6 mt -90.46 155.29 19.02 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -147.36 148.49 31.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.501 0.72 . . . . 0.0 109.257 168.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HE2' ' CE ' ' A' ' 60' ' ' MET . 1.3 tttm -89.32 128.98 35.93 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 171.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 p30 -81.5 -179.81 1.62 Allowed Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.908 0.883 . . . . 0.0 110.005 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -80.4 -11.68 13.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.039 1.826 . . . . 0.0 112.986 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.34 -29.52 63.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.83 0.741 . . . . 0.0 109.026 170.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.58 12.46 30.53 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.038 1.78 . . . . 0.0 111.682 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.36 142.73 27.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.135 1.967 . . . . 0.0 107.997 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -74.73 104.35 3.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -90.94 155.16 18.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.689 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.69 -160.02 14.18 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 123.785 0.707 . . . . 0.0 112.412 165.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.73 171.3 68.8 Favored 'Cis proline' 0 N--CA 1.461 -0.436 0 CA-C-N 118.228 1.014 . . . . 0.0 112.668 8.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -138.03 161.82 35.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.368 1.867 . . . . 0.0 110.598 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.05 145.78 46.32 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.917 1.287 . . . . 0.0 108.83 166.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.94 -35.87 71.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -64.43 -37.9 89.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.694 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -63.97 -47.95 78.39 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.561 1.073 . . . . 0.0 110.012 173.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.03 -42.51 85.5 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.083 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -57.32 -51.91 67.49 Favored 'General case' 0 C--O 1.227 -0.081 0 CA-C-O 117.554 -1.212 . . . . 0.0 109.833 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.45 85.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.438 1.017 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.339 0.518 . . . . 0.0 111.185 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -60.64 -43.51 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.155 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.26 -40.08 82.02 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.296 1.838 . . . . 0.0 111.53 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.61 9.03 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.074 1.749 . . . . 0.0 111.487 171.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 58.28 27.39 15.17 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.743 2.017 . . . . 0.0 114.649 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -61.76 -7.12 3.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.203 1.401 . . . . 0.0 113.008 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -131.6 173.52 11.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 126.276 1.83 . . . . 0.0 109.066 -160.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -95.18 166.76 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.442 1.097 . . . . 0.0 108.639 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 7.1 42.81 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 120.81 -1.181 . . . . 0.0 111.809 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -141.37 70.26 1.34 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 155.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -86.68 140.43 29.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.881 0.872 . . . . 0.0 109.307 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.58 160.65 30.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.436 0.695 . . . . 0.0 112.084 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.95 153.8 15.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 126.244 1.818 . . . . 0.0 109.077 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -148.82 157.48 43.47 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.536 0.734 . . . . 0.0 110.925 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 mtt -72.7 162.52 29.38 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 123.185 1.469 . . . . 0.0 112.228 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.2 p -59.48 127.24 31.09 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.942 -1.027 . . . . 0.0 108.963 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -17.77 41.42 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.773 -1.015 . . . . 0.0 113.037 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -66.99 164.89 16.72 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.304 1.552 . . . . 0.0 110.345 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 145.24 37.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.447 ' CE ' ' HE2' ' A' ' 23' ' ' LYS . 47.0 ttm -58.85 -31.44 68.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 167.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.55 -8.5 57.91 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.633 -0.667 . . . . 0.0 112.67 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.8 m -92.46 8.16 39.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.402 1.001 . . . . 0.0 111.607 163.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 164.41 11.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 119.583 1.083 . . . . 0.0 111.216 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.29 161.14 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.836 1.254 . . . . 0.0 109.854 -176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 124.17 23.0 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -52.71 -31.67 38.91 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.832 0.708 . . . . 0.0 111.34 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.24 -41.23 98.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.891 0.853 . . . . 0.0 110.802 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -36.8 72.02 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 121.66 -0.65 . . . . 0.0 109.695 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.4 t -69.81 -31.32 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 124.085 0.954 . . . . 0.0 110.609 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -50.27 74.23 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.684 1.193 . . . . 0.0 109.726 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.42 -47.12 86.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.752 0.821 . . . . 0.0 111.455 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.78 -41.94 95.47 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.472 0.709 . . . . 0.0 111.492 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -64.37 -35.66 81.6 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.542 -0.724 . . . . 0.0 110.502 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 -177.6 54.18 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.353 0.978 . . . . 0.0 111.011 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.89 111.34 2.6 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.473 2.115 . . . . 0.0 110.997 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 p -151.08 154.61 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.73 1.212 . . . . 0.0 107.795 157.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m 30.33 77.89 0.03 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 128.313 2.645 . . . . 0.0 114.291 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.736 0 N-CA-C 105.328 -3.109 . . . . 0.0 105.328 175.113 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.869 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -138.43 122.7 18.19 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 171.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 58.47 -171.6 0.11 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 125.391 1.476 . . . . 0.0 111.945 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.79 -108.51 0.73 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 58.37 177.02 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.27 1.428 . . . . 0.0 113.028 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t 53.99 18.61 1.73 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.169 1.388 . . . . 0.0 112.012 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.87 -158.61 23.17 Favored Glycine 0 C--N 1.337 0.637 0 O-C-N 120.822 -1.174 . . . . 0.0 110.682 -152.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.258 0.9 OUTLIER 69.09 133.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 127.958 2.503 . . . . 0.0 112.222 171.438 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.57 167.44 25.39 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 120.616 -1.303 . . . . 0.0 109.161 170.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m -69.2 161.65 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 165.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 mt -120.62 102.22 8.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 165.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.72 154.77 28.97 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.124 1.77 . . . . 0.0 107.619 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -102.68 102.65 12.86 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.64 123.8 27.12 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -95.55 -15.56 22.76 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 116.86 -1.543 . . . . 0.0 112.566 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.8 -50.47 3.84 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 120.332 1.424 . . . . 0.0 111.189 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 161.56 30.85 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.079 0.854 . . . . 0.0 110.892 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -84.17 102.2 12.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -132.31 0.48 3.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -122.64 119.56 31.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.824 0.738 . . . . 0.0 109.72 -171.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.6 mt -93.67 164.45 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 126.745 2.018 . . . . 0.0 109.598 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 30.2 p90 -150.68 161.53 42.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.453 0.701 . . . . 0.0 109.754 163.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -101.72 139.32 37.53 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.806 1.242 . . . . 0.0 109.91 165.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -109.47 174.52 2.36 Favored Pre-proline 0 C--O 1.24 0.574 0 C-N-CA 123.844 0.858 . . . . 0.0 109.715 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 56.4 Cg_endo -80.24 45.02 1.85 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 125.184 3.923 . . . . 0.0 110.09 175.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 24' ' ' ASP . 7.1 mm-40 -124.25 -18.68 5.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 129.729 3.212 . . . . 0.0 108.989 168.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.67 13.55 80.31 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 124.149 0.881 . . . . 0.0 112.532 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.56 149.21 21.78 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 163.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -78.95 141.68 15.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 159.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -118.59 166.64 12.47 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.749 0.785 . . . . 0.0 110.476 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.27 -163.51 37.59 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.114 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.76 168.45 76.17 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.854 -1.311 . . . . 0.0 114.609 21.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.32 160.82 37.2 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.89 2.076 . . . . 0.0 109.087 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.2 p -92.41 155.72 17.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.96 0.904 . . . . 0.0 110.935 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.67 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.7 m -62.99 -48.15 80.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.001 0.818 . . . . 0.0 109.393 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.02 -50.45 73.69 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 122.512 0.325 . . . . 0.0 110.134 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.6 mt -63.52 -42.46 98.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.691 0.397 . . . . 0.0 111.438 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -54.32 -52.69 60.74 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.206 1.002 . . . . 0.0 110.36 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.43 78.37 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.528 0.731 . . . . 0.0 112.723 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -77.25 -34.24 55.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.987 0.915 . . . . 0.0 111.655 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -59.47 -46.02 89.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -48.13 79.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.419 1.088 . . . . 0.0 110.804 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.86 11.83 0.34 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.249 1.82 . . . . 0.0 114.027 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 51.97 37.21 20.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.149 1.779 . . . . 0.0 112.206 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.39 -36.56 66.05 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.827 -1.171 . . . . 0.0 110.109 162.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -110.33 -171.13 1.77 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.779 0.831 . . . . 0.0 111.233 -167.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -134.42 165.18 25.76 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.763 0.825 . . . . 0.0 109.587 -169.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -62.55 -8.24 6.03 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.549 1.94 . . . . 0.0 113.394 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -126.23 24.14 6.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.617 1.567 . . . . 0.0 109.538 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -82.98 142.33 31.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.799 1.24 . . . . 0.0 108.719 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.14 160.06 35.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 111.764 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -140.39 150.03 21.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 110.653 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 31.9 p90 -131.44 159.26 38.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.606 1.163 . . . . 0.0 110.238 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.0 mtt -77.28 157.78 30.57 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.142 0.496 . . . . 0.0 110.691 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.7 p -61.19 119.24 8.02 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.55 -0.719 . . . . 0.0 111.714 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.41 -10.3 75.15 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.313 0.959 . . . . 0.0 112.792 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.8 165.15 23.04 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 118.502 1.151 . . . . 0.0 108.82 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -83.57 152.21 24.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.404 0.621 . . . . 0.0 109.632 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.451 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 22.5 ttm -60.89 -28.44 68.89 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.088 1.355 . . . . 0.0 112.31 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -29.84 70.44 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.255 -1.528 . . . . 0.0 110.428 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -75.51 2.18 12.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.417 1.487 . . . . 0.0 111.332 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 147.54 53.23 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 120.5 -1.375 . . . . 0.0 110.453 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.03 161.84 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.858 1.263 . . . . 0.0 108.724 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.9 120.71 10.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 108.316 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.25 -31.24 53.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.08 0.552 . . . . 0.0 110.361 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 p -67.22 -23.33 65.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.998 0.919 . . . . 0.0 111.998 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.98 -37.67 16.18 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 173.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.76 -30.68 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.204 0.911 . . . . 0.0 111.011 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -47.63 85.11 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 120.903 -1.123 . . . . 0.0 110.832 170.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -60.94 -46.83 89.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.872 -1.142 . . . . 0.0 110.27 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.66 0.16 5.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.918 1.287 . . . . 0.0 112.917 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -146.8 86.9 1.67 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.15 151.81 17.68 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -70.85 166.97 27.21 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.396 2.064 . . . . 0.0 109.072 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -65.66 164.85 13.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.911 0.778 . . . . 0.0 111.452 -172.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t 52.27 -161.64 0.09 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.454 1.102 . . . . 0.0 109.943 -157.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.81 0 C-N-CA 126.913 2.197 . . . . 0.0 114.171 179.003 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.1 -178.75 4.28 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 125.944 1.698 . . . . 0.0 109.529 164.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -134.46 96.72 3.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.73 -82.6 0.3 Allowed Glycine 0 C--N 1.333 0.412 0 CA-C-O 118.444 -1.198 . . . . 0.0 111.285 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m 33.21 71.31 0.09 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.691 1.596 . . . . 0.0 110.869 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -54.4 107.94 0.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.538 1.535 . . . . 0.0 110.418 -171.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.32 -79.26 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 105.856 -2.898 . . . . 0.0 105.856 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -124.78 -155.9 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.439 1.496 . . . . 0.0 109.383 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mmt-85 -69.49 141.81 53.87 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 121.331 -0.855 . . . . 0.0 108.704 163.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.0 149.92 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 151.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -137.21 123.98 21.21 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.3 t -130.59 159.71 36.36 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.429 1.092 . . . . 0.0 110.516 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.81 101.08 11.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.65 123.32 47.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -101.73 9.36 41.01 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.574 0.75 . . . . 0.0 112.498 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.1 -72.46 0.67 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.32 144.12 57.22 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.315 0.578 . . . . 0.0 111.603 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.49 120.31 12.64 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 166.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -149.01 5.71 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -124.16 127.86 48.39 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.361 1.064 . . . . 0.0 108.917 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.01 159.93 14.8 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 127.601 2.36 . . . . 0.0 108.352 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -155.35 166.33 33.87 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.79 126.86 51.22 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.124 1.37 . . . . 0.0 108.407 169.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 169.34 16.45 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 118.66 0.664 . . . . 0.0 109.405 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.97 -24.51 19.43 Favored 'Trans proline' 0 C--N 1.349 0.584 1 C-N-CA 125.526 4.151 . . . . 0.0 114.158 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.98 -17.46 64.69 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.132 1.373 . . . . 0.0 112.128 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.97 -12.07 68.71 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.729 1.157 . . . . 0.0 112.475 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.55 134.52 43.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.659 1.229 . . . . 0.0 107.846 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.95 136.63 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 158.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.4 162.02 18.61 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.83 -165.15 13.29 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 163.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.13 171.14 69.6 Favored 'Cis proline' 0 CA--C 1.535 0.531 0 C-N-CA 124.996 -0.835 . . . . 0.0 114.234 12.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.95 167.69 20.47 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.334 1.854 . . . . 0.0 109.473 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -87.2 157.52 19.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.95 -36.26 74.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.615 -0.707 . . . . 0.0 111.152 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -65.23 -46.92 78.67 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.927 1.291 . . . . 0.0 111.219 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -62.47 -46.05 90.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.692 0.678 . . . . 0.0 109.551 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.16 -43.97 96.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.474 0.71 . . . . 0.0 110.479 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -56.31 -46.25 79.93 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.821 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.01 83.66 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.567 0.622 . . . . 0.0 111.619 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -59.14 -36.31 75.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.73 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 t -62.66 -45.73 91.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.598 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.9 -13.43 59.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.537 0.608 . . . . 0.0 111.878 -171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.54 47.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.697 1.599 . . . . 0.0 112.108 167.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 52.4 52.43 14.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.466 2.306 . . . . 0.0 113.423 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.97 11.48 6.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.208 1.403 . . . . 0.0 113.02 167.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -122.74 -161.92 0.98 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.249 1.42 . . . . 0.0 111.444 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 p -128.67 162.28 27.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.619 1.168 . . . . 0.0 109.535 -171.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -1.43 3.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -144.08 48.74 1.38 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.43 1.468 . . . . 0.0 108.225 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -84.17 136.15 34.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.513 0.673 . . . . 0.0 109.871 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 162.92 28.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.329 1.051 . . . . 0.0 111.271 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 150.18 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.424 1.49 . . . . 0.0 107.673 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.9 p90 -129.06 157.43 41.76 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.5 mtt -72.67 165.89 23.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 122.108 0.956 . . . . 0.0 110.691 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -59.1 155.72 13.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.488 0.661 . . . . 0.0 109.809 168.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.57 -26.18 0.48 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.458 1.028 . . . . 0.0 114.525 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.12 162.24 25.95 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.612 1.706 . . . . 0.0 112.202 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.2 t -73.0 155.51 39.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.111 0.964 . . . . 0.0 108.739 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.49 -33.57 69.94 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.354 0.662 . . . . 0.0 111.086 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -30.34 70.27 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.403 -0.811 . . . . 0.0 110.988 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -75.33 4.98 6.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.818 2.047 . . . . 0.0 112.339 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 149.55 48.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.771 -1.205 . . . . 0.0 110.175 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.53 160.18 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 125.406 1.482 . . . . 0.0 109.306 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.72 129.18 40.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.37 -32.43 62.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.934 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 p -67.1 -31.96 72.79 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.606 -0.684 . . . . 0.0 111.814 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.17 -47.55 42.87 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -42.74 73.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.459 1.104 . . . . 0.0 111.638 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -46.68 87.75 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.348 1.059 . . . . 0.0 111.485 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -51.67 69.03 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.377 1.071 . . . . 0.0 109.7 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.17 -32.16 73.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.614 0.643 . . . . 0.0 111.901 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -93.74 25.52 3.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.26 -179.75 35.32 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.02 0.819 . . . . 0.0 111.955 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -80.21 57.32 6.45 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 124.759 3.64 . . . . 0.0 112.368 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 m -135.25 169.69 17.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.978 0.511 . . . . 0.0 111.35 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 p -68.37 173.16 5.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.204 1.002 . . . . 0.0 110.013 167.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 177.329 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.915 0 N-CA-C 106.167 -2.773 . . . . 0.0 106.167 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -67.82 -173.8 0.39 Allowed 'General case' 0 C--O 1.244 0.765 0 CA-C-N 118.341 1.071 . . . . 0.0 109.037 151.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -147.59 -158.14 0.88 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.611 1.564 . . . . 0.0 107.528 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.51 102.34 2.9 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t 48.06 95.87 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.5 2.32 . . . . 0.0 113.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -123.82 85.17 2.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.41 1.084 . . . . 0.0 110.088 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.82 33.85 0.88 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.292 0.948 . . . . 0.0 113.589 -167.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 t -62.13 105.25 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 125.431 1.492 . . . . 0.0 107.311 173.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.97 165.09 11.84 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.308 1.043 . . . . 0.0 108.59 159.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.36 163.21 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 124.736 1.214 . . . . 0.0 108.127 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 mt -138.71 75.15 1.5 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.833 0.825 . . . . 0.0 110.251 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.32 160.54 30.2 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.948 0.899 . . . . 0.0 110.905 173.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -93.06 103.05 15.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.363 1.465 . . . . 0.0 110.604 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.69 98.89 2.01 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 122.142 0.972 . . . . 0.0 110.6 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -93.18 -6.62 47.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 117.818 -1.086 . . . . 0.0 111.863 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -124.79 -15.86 6.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 120.448 1.476 . . . . 0.0 114.064 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -109.19 151.44 26.48 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.079 1.308 . . . . 0.0 109.005 171.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.513 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.86 99.4 4.47 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -131.56 -11.2 3.54 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -104.49 115.15 29.85 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.582 1.083 . . . . 0.0 109.791 -171.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.08 154.89 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.701 1.601 . . . . 0.0 107.496 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 21.1 p90 -140.54 160.9 39.0 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 165.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE3' ' HE3' ' A' ' 60' ' ' MET . 5.6 tttt -101.08 148.71 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 162.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.0 OUTLIER -119.44 178.39 1.11 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.098 0.959 . . . . 0.0 109.146 -176.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 69.8 Cg_endo -71.43 -11.63 28.63 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.638 2.892 . . . . 0.0 111.563 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -64.57 -22.12 66.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.523 1.129 . . . . 0.0 110.482 168.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.48 -6.94 74.94 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 126.618 2.056 . . . . 0.0 112.81 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.29 140.26 43.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.748 1.274 . . . . 0.0 108.528 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.68 134.56 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 152.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -120.14 170.38 9.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.83 1.652 . . . . 0.0 109.03 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -161.32 31.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.17 170.86 70.4 Favored 'Cis proline' 0 N--CA 1.452 -0.914 0 CA-C-N 118.402 1.101 . . . . 0.0 112.568 15.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CE2' ' CE2' ' A' ' 22' ' ' TYR . 74.6 m-85 -140.05 160.43 39.94 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.459 1.903 . . . . 0.0 108.753 -172.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.4 p -86.34 153.59 21.84 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.006 0.432 . . . . 0.0 110.61 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.21 -24.59 67.95 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 m -76.46 -37.0 57.58 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.672 1.124 . . . . 0.0 110.728 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -57.61 -49.98 74.64 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.89 -35.73 79.23 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.578 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.46 -53.6 55.57 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.467 1.03 . . . . 0.0 110.305 170.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.0 86.17 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.721 0.692 . . . . 0.0 111.348 -174.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 21.2 m0 -67.0 -41.17 87.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 122.54 0.336 . . . . 0.0 110.846 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.35 -38.02 89.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 110.903 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.06 -29.42 70.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 126.181 1.792 . . . . 0.0 111.125 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.16 11.34 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.828 1.651 . . . . 0.0 112.682 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 52.65 31.0 9.47 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.165 1.786 . . . . 0.0 113.88 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.27 -31.63 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.425 -0.797 . . . . 0.0 110.462 168.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CD1' ' CE2' ' A' ' 51' ' ' PHE . 18.5 m-85 -124.04 167.09 14.65 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.757 1.223 . . . . 0.0 110.188 -162.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 p -108.41 174.66 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.145 1.378 . . . . 0.0 110.108 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -68.35 -5.08 16.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.485 1.114 . . . . 0.0 113.776 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.93 31.17 5.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.043 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 47' ' ' PHE . 38.1 t80 -86.09 103.21 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.096 -1.002 . . . . 0.0 109.122 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.72 159.2 19.23 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 120.64 -1.287 . . . . 0.0 112.116 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.18 154.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 127.077 2.151 . . . . 0.0 108.305 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -141.85 156.06 45.54 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.838 0.855 . . . . 0.0 108.89 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.9 mtt -73.09 157.39 37.38 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.4 p -61.58 150.53 35.87 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.86 -27.74 4.77 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.947 -0.918 . . . . 0.0 112.149 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -94.26 169.69 10.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.439 1.62 . . . . 0.0 110.958 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 122.58 1.181 . . . . 0.0 110.423 -174.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.429 ' HE3' ' HE3' ' A' ' 23' ' ' LYS . 31.5 ttm -74.8 -34.02 62.33 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.951 1.3 . . . . 0.0 111.255 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.06 -38.77 90.04 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.549 -0.719 . . . . 0.0 110.362 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 t -72.9 -3.53 26.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.701 2.001 . . . . 0.0 112.49 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.74 144.01 55.34 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 120.186 1.357 . . . . 0.0 111.004 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.6 m -107.25 166.86 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 126.367 1.867 . . . . 0.0 108.779 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.75 133.63 38.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.57 -1.331 . . . . 0.0 109.173 -177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.26 -33.46 69.42 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.702 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -34.46 78.42 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.766 1.167 . . . . 0.0 111.757 178.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -53.3 19.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.908 0.883 . . . . 0.0 108.875 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.79 -27.15 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 122.592 0.357 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.11 87.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.709 1.204 . . . . 0.0 111.571 170.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -66.92 -46.66 74.12 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.358 173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.13 -52.43 55.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.24 0.616 . . . . 0.0 110.549 -174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -80.65 48.17 1.03 Allowed 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.595 -1.315 . . . . 0.0 109.885 170.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.63 129.18 5.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.2 104.39 0.6 Allowed 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.491 2.127 . . . . 0.0 108.348 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 t -150.4 103.24 3.12 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 168.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -76.76 -24.03 52.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.755 0.422 . . . . 0.0 111.895 -175.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.308 0 N-CA-C 105.804 -2.919 . . . . 0.0 105.804 -175.576 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.745 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p -66.96 167.74 11.16 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 159.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -109.59 -162.78 0.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.963 0.905 . . . . 0.0 109.035 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.02 -149.78 9.42 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.143 -2.383 . . . . 0.0 107.143 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -161.34 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.731 1.212 . . . . 0.0 110.917 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -47.51 -31.99 4.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.749 1.62 . . . . 0.0 115.355 -161.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.06 170.04 41.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.5 m -97.74 56.66 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 124.526 1.131 . . . . 0.0 108.893 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mtp-105 58.81 69.05 0.76 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.658 1.983 . . . . 0.0 110.901 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.6 t -146.53 134.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 125.693 1.597 . . . . 0.0 107.947 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 mt -147.83 118.78 7.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.921 1.688 . . . . 0.0 108.502 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 149.3 38.56 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 161.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -65.68 139.72 58.41 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 159.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -79.63 98.2 6.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -99.93 -18.05 17.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.235 -1.364 . . . . 0.0 112.84 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -120.25 12.27 11.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.197 1.362 . . . . 0.0 112.051 -173.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -127.71 151.39 49.03 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 165.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.29 93.21 1.46 Allowed 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 125.411 1.484 . . . . 0.0 109.4 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.67 3.53 4.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -128.27 121.42 29.27 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.871 0.76 . . . . 0.0 110.535 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.1 mt -90.86 159.78 16.07 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 127.855 2.462 . . . . 0.0 109.18 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.439 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 14.9 p90 -149.69 165.77 31.35 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.889 0.476 . . . . 0.0 110.507 165.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.58 120.59 42.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.024 1.329 . . . . 0.0 110.012 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -76.11 -178.9 1.0 Allowed Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.441 1.096 . . . . 0.0 108.745 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -86.24 40.38 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.626 3.551 . . . . 0.0 109.771 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -120.12 -5.22 10.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.675 1.59 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 0.88 63.01 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.135 1.826 . . . . 0.0 113.709 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.41 128.27 34.66 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.122 1.769 . . . . 0.0 107.816 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.98 128.35 26.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 155.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -104.67 160.0 15.32 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.181 0.993 . . . . 0.0 108.636 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.61 -162.99 14.73 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 124.302 0.954 . . . . 0.0 112.127 168.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.96 167.76 77.66 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.777 -0.926 . . . . 0.0 113.184 10.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -134.61 155.02 51.21 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.808 2.043 . . . . 0.0 108.419 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 147.46 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 167.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.51 -31.74 69.65 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.982 -0.449 . . . . 0.0 110.86 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -59.47 -46.78 87.82 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.218 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.97 -42.75 89.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.958 0.503 . . . . 0.0 111.316 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -41.81 98.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 110.695 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -59.88 -46.28 89.82 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 118.713 0.688 . . . . 0.0 110.287 173.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.06 82.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.2 0.455 . . . . 0.0 111.7 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -67.96 -44.52 76.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.196 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -40.82 88.44 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 109.287 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -30.6 53.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.852 2.061 . . . . 0.0 111.868 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.3 2.67 39.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.638 1.975 . . . . 0.0 112.515 -172.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 71.45 20.06 4.99 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.567 2.347 . . . . 0.0 113.278 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -69.63 -2.99 13.14 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.632 -1.292 . . . . 0.0 113.753 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -131.93 -179.4 5.38 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.904 2.481 . . . . 0.0 108.938 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.6 p -105.51 164.28 12.01 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.653 1.581 . . . . 0.0 110.129 -172.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -70.13 7.57 0.95 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.676 1.19 . . . . 0.0 113.801 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.06 28.44 1.72 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.245 1.818 . . . . 0.0 109.864 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.65 143.62 34.49 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.923 -1.11 . . . . 0.0 111.12 -169.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -125.08 164.99 19.01 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.185 0.994 . . . . 0.0 112.76 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.69 157.16 29.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 126.31 1.844 . . . . 0.0 108.819 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.453 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 29.8 p90 -137.78 159.86 40.83 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 171.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.74 156.22 38.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.045 1.338 . . . . 0.0 111.006 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 p -54.13 102.46 0.06 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.582 1.153 . . . . 0.0 109.809 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.34 -5.7 59.06 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 117.29 -1.839 . . . . 0.0 114.382 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.41 168.17 19.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 120.231 2.015 . . . . 0.0 110.094 170.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.93 138.54 36.12 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 123.497 0.719 . . . . 0.0 109.653 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 29.8 ttm -58.59 -26.31 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.836 1.254 . . . . 0.0 113.586 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.62 -17.48 61.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 118.115 -0.945 . . . . 0.0 112.821 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 m -95.73 15.5 19.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.036 1.734 . . . . 0.0 111.555 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 131.42 46.26 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.87 -1.144 . . . . 0.0 110.583 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -96.6 160.77 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 124.275 1.03 . . . . 0.0 109.515 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 120.34 9.31 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 124.587 1.155 . . . . 0.0 108.144 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.5 tp -53.44 -33.72 55.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.385 171.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -32.53 71.65 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.684 0.674 . . . . 0.0 111.936 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.08 -47.32 71.6 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.376 -0.827 . . . . 0.0 109.101 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.24 -39.82 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.093 1.357 . . . . 0.0 110.578 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.15 -37.97 78.6 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.465 1.106 . . . . 0.0 112.082 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -65.28 -58.63 5.47 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.87 -48.46 79.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.329 0.652 . . . . 0.0 112.682 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.8 m -79.22 60.01 2.94 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.083 1.353 . . . . 0.0 111.641 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.53 166.1 26.59 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 159.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.55 129.02 16.09 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.715 2.277 . . . . 0.0 109.651 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -63.27 135.86 57.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.07 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.07 0.948 . . . . 0.0 111.992 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.438 0 N-CA-C 105.801 -2.92 . . . . 0.0 105.801 178.375 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -61.09 108.15 0.84 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.738 0.815 . . . . 0.0 110.925 -173.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -144.54 121.64 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.701 1.2 . . . . 0.0 108.942 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.18 125.33 2.56 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -147.33 164.65 32.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.904 0.852 . . . . 0.0 108.926 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -148.83 1.01 0.56 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.473 1.909 . . . . 0.0 110.959 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.54 -179.2 44.23 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.804 1.669 . . . . 0.0 109.147 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 t -113.29 106.47 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -84.74 163.74 18.97 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 164.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t 58.91 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 126.83 2.052 . . . . 0.0 111.735 -173.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -142.67 119.59 11.29 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 127.167 2.187 . . . . 0.0 105.863 167.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 154.34 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.557 1.543 . . . . 0.0 107.86 165.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.86 103.01 15.6 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -65.77 119.83 11.93 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -101.12 -15.49 17.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.276 -1.345 . . . . 0.0 112.358 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.52 -40.66 12.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.391 0.996 . . . . 0.0 109.722 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -85.27 157.15 20.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.593 0.558 . . . . 0.0 110.665 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.33 83.34 6.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -119.09 4.59 11.34 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -171.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -129.08 145.67 51.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.562 0.745 . . . . 0.0 109.754 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -124.58 156.48 37.34 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.018 2.127 . . . . 0.0 107.533 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -144.46 150.92 38.42 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 170.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -95.12 123.18 38.47 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -77.87 177.21 2.89 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.454 1.101 . . . . 0.0 110.848 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -83.07 -0.73 10.11 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.036 2.491 . . . . 0.0 114.01 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -82.17 -36.1 27.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 119.563 1.074 . . . . 0.0 109.09 169.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.6 19.45 4.53 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.207 -1.329 . . . . 0.0 112.253 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.49 144.04 38.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 119.76 1.78 . . . . 0.0 108.292 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -83.76 111.85 20.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -87.78 166.57 14.51 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.9 -161.95 21.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 172.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.88 164.77 86.69 Favored 'Cis proline' 0 N--CA 1.455 -0.771 0 C-N-CA 124.507 -1.039 . . . . 0.0 113.14 10.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -132.58 159.87 38.26 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.192 1.397 . . . . 0.0 108.201 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -82.03 149.57 28.04 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.485 1.114 . . . . 0.0 109.618 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.33 -33.36 71.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.913 0.778 . . . . 0.0 110.43 175.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.2 m -62.19 -29.44 70.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.337 0.655 . . . . 0.0 111.934 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -80.24 -50.98 9.48 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 119.235 0.925 . . . . 0.0 109.221 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.77 -42.96 80.31 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.911 0.884 . . . . 0.0 110.319 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -57.34 -54.64 44.54 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.827 0.851 . . . . 0.0 111.053 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.78 79.25 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 123.423 0.452 . . . . 0.0 111.442 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.2 m0 -64.96 -44.32 89.77 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.754 0.822 . . . . 0.0 110.213 170.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t -63.48 -36.91 85.32 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.375 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.3 -50.51 73.72 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 119.288 0.949 . . . . 0.0 109.454 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.89 13.45 0.15 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.233 1.813 . . . . 0.0 113.724 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 70.27 4.96 5.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.862 2.465 . . . . 0.0 114.97 168.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.88 9.14 0.1 Allowed 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -172.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -126.5 178.9 5.59 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.609 1.564 . . . . 0.0 110.894 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.8 p -101.61 167.56 10.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.419 1.488 . . . . 0.0 110.43 -169.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -63.84 -24.63 67.83 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.752 -1.217 . . . . 0.0 112.31 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -129.75 57.93 1.66 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -82.27 115.19 21.23 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.029 0.932 . . . . 0.0 108.511 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -97.72 167.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 119.113 0.869 . . . . 0.0 111.399 169.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.12 157.06 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 126.204 1.802 . . . . 0.0 107.748 169.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.43 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 18.6 p90 -136.81 164.45 28.25 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.1 mtt -78.14 160.32 28.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.288 0.566 . . . . 0.0 110.438 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -61.35 144.49 53.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.409 0.684 . . . . 0.0 109.554 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.11 -9.78 17.74 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.957 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -89.85 176.37 6.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 119.246 1.523 . . . . 0.0 111.588 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.57 128.42 33.36 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.348 2.259 . . . . 0.0 109.223 175.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.546 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 38.2 ttm -56.66 -41.09 76.63 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.947 0.499 . . . . 0.0 110.507 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.1 -22.76 66.07 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.088 -1.008 . . . . 0.0 112.453 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -83.91 5.02 26.94 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.983 1.265 . . . . 0.0 112.491 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.28 148.66 11.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.426 1.012 . . . . 0.0 111.537 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.9 160.08 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 125.695 1.598 . . . . 0.0 109.537 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 123.63 20.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.966 1.307 . . . . 0.0 108.077 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 67.4 tp -53.29 -31.06 42.04 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.798 0.439 . . . . 0.0 112.116 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 p -72.28 -20.96 61.43 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.873 0.76 . . . . 0.0 111.287 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.8 -39.56 19.84 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.908 1.283 . . . . 0.0 108.784 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.95 -34.26 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.808 -0.558 . . . . 0.0 110.494 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -56.38 19.07 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.3 169.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -58.27 -40.9 83.06 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.414 1.086 . . . . 0.0 111.747 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.09 -43.93 97.14 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t -93.44 44.14 1.13 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 111.281 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 121.02 168.39 13.52 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.227 0.918 . . . . 0.0 112.488 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.48 81.12 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.833 2.355 . . . . 0.0 110.965 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.5 m -149.89 134.4 17.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.402 1.481 . . . . 0.0 107.814 170.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.0 m -126.0 -7.08 6.62 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.002 1.321 . . . . 0.0 112.303 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 -140.409 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -168.03 162.34 13.18 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.546 1.138 . . . . 0.0 108.917 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -90.62 151.0 21.48 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 162.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.03 124.95 0.96 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 107.558 -2.217 . . . . 0.0 107.558 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -146.52 95.85 2.67 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -145.83 84.5 1.67 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 119.244 0.929 . . . . 0.0 109.83 170.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.91 62.73 6.04 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.1 t -73.21 70.95 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 126.406 1.883 . . . . 0.0 108.697 -175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.28 0.1 OUTLIER 44.33 -159.54 0.02 OUTLIER 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.336 2.254 . . . . 0.0 112.837 -164.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.86 160.86 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 108.751 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 88.01 1.5 Allowed 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.732 0.813 . . . . 0.0 110.872 173.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m -74.82 147.01 41.54 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.507 -0.745 . . . . 0.0 109.232 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.34 138.95 56.1 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.309 1.044 . . . . 0.0 112.217 -166.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -72.21 99.31 2.33 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.989 1.716 . . . . 0.0 108.91 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -112.36 -17.57 12.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.121 -0.987 . . . . 0.0 113.028 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -115.27 1.16 13.72 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.742 1.217 . . . . 0.0 112.1 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 162.85 15.84 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 166.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -82.83 103.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -137.37 1.83 2.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -128.33 119.77 25.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 118.928 0.786 . . . . 0.0 110.663 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -90.85 156.74 17.79 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.136 2.174 . . . . 0.0 108.607 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -151.34 157.39 42.42 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 171.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -98.3 116.99 31.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.248 1.419 . . . . 0.0 108.778 169.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 175.79 4.4 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 164.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.47 -10.94 20.63 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.808 2.338 . . . . 0.0 113.461 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -27.42 68.88 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.668 1.122 . . . . 0.0 111.041 165.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.12 -0.74 66.82 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.61 -1.106 . . . . 0.0 112.954 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.27 135.31 55.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.903 1.352 . . . . 0.0 107.58 166.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.01 94.36 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 166.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -75.86 164.66 25.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.713 0.768 . . . . 0.0 109.092 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.49 -168.23 30.58 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.155 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.92 167.49 74.86 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 124.56 -1.017 . . . . 0.0 113.728 19.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.26 162.05 34.08 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.021 1.728 . . . . 0.0 109.784 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.32 144.87 32.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.195 0.998 . . . . 0.0 109.624 168.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.6 -29.47 70.72 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.583 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -65.01 -36.72 85.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.632 1.106 . . . . 0.0 109.745 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.6 -48.84 68.26 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.4 0.545 . . . . 0.0 110.578 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.14 -37.74 86.3 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.732 -0.605 . . . . 0.0 111.343 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -62.06 -48.7 79.05 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.464 1.105 . . . . 0.0 110.049 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.05 78.67 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.245 0.93 . . . . 0.0 111.038 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -75.91 -28.76 58.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.742 1.217 . . . . 0.0 112.06 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -65.12 -30.72 71.68 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.813 165.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.17 -13.31 59.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.806 1.243 . . . . 0.0 112.597 178.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.8 -2.08 20.31 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.227 1.811 . . . . 0.0 111.695 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 51.73 68.73 0.76 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.826 2.05 . . . . 0.0 112.056 -170.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -105.31 11.2 33.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.089 1.356 . . . . 0.0 111.038 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -143.07 155.43 44.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.478 1.511 . . . . 0.0 109.401 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -81.91 172.01 13.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.969 -163.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -17.68 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 170.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -142.19 48.6 1.57 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.501 1.046 . . . . 0.0 108.62 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -83.05 146.16 28.88 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.202 -0.936 . . . . 0.0 111.246 -168.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -127.18 158.77 36.2 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.695 0.798 . . . . 0.0 112.056 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.32 158.65 28.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 126.271 1.828 . . . . 0.0 108.266 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -137.46 160.23 39.7 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.317 0.647 . . . . 0.0 109.607 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.44 158.74 35.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.708 0.766 . . . . 0.0 110.943 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -49.45 121.48 5.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.196 0.999 . . . . 0.0 109.434 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.66 -23.87 28.61 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 125.05 1.309 . . . . 0.0 113.127 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.33 166.49 21.27 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 118.768 1.284 . . . . 0.0 112.721 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.51 145.86 50.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 165.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.6 ttm -57.9 -29.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.813 1.292 . . . . 0.0 110.848 170.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 126.302 1.841 . . . . 0.0 110.499 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.7 m -72.54 -3.44 24.56 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.005 0.922 . . . . 0.0 113.305 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 140.89 56.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.349 0.977 . . . . 0.0 110.962 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.69 163.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.556 1.942 . . . . 0.0 108.757 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.83 126.68 30.19 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.48 -37.36 25.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.688 170.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -26.53 66.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.4 0.68 . . . . 0.0 112.523 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.26 -39.05 23.53 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 109.637 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.69 -35.45 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 121.087 -1.008 . . . . 0.0 109.793 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -27.25 67.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.133 1.373 . . . . 0.0 112.294 169.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -61.48 1.96 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.238 0.926 . . . . 0.0 108.64 168.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.3 -27.58 68.58 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.944 1.297 . . . . 0.0 112.611 -164.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 t -110.72 62.98 0.61 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.04 1.336 . . . . 0.0 108.501 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -78.95 167.62 52.83 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.885 1.231 . . . . 0.0 110.938 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.61 95.06 1.04 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.368 2.045 . . . . 0.0 111.225 -173.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 t -153.65 146.32 24.23 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.514 -0.741 . . . . 0.0 109.493 168.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -66.7 172.71 4.0 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 156.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 N-CA-C 107.558 -2.217 . . . . 0.0 107.558 161.063 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.79 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t 60.57 -89.25 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.492 1.517 . . . . 0.0 110.537 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 m -141.78 117.72 10.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 167.64 12.51 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.439 1.019 . . . . 0.0 111.195 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -77.0 80.63 3.53 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 m -146.33 152.4 39.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.071 1.348 . . . . 0.0 107.887 171.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.03 -131.94 11.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 107.947 -2.061 . . . . 0.0 107.947 -165.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.88 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 121.474 -1.015 . . . . 0.0 109.911 -160.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -51.8 154.87 1.89 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.953 0.901 . . . . 0.0 109.705 171.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.9 157.14 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 124.829 1.252 . . . . 0.0 108.32 -174.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 mt -120.63 87.4 2.74 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 t -136.39 113.34 10.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 171.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.7 102.41 4.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.46 99.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.889 -169.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -89.13 -21.59 23.28 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.932 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -95.74 -53.55 3.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 119.913 1.233 . . . . 0.0 109.268 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.31 159.92 28.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.697 0.68 . . . . 0.0 111.357 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.97 109.24 5.67 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 171.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.06 6.75 1.57 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -128.11 120.66 27.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.179 0.991 . . . . 0.0 108.989 -174.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 mt -90.57 162.99 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 126.837 2.055 . . . . 0.0 108.854 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -148.37 162.85 38.72 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.749 -0.595 . . . . 0.0 110.004 165.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 5.0 ttmt -102.44 134.25 46.06 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.613 1.165 . . . . 0.0 108.082 169.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.37 174.25 4.59 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.012 0.925 . . . . 0.0 110.587 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.09 -7.22 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.903 2.402 . . . . 0.0 112.574 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.41 -13.5 46.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.437 1.495 . . . . 0.0 110.255 167.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.94 9.85 67.4 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 128.764 3.078 . . . . 0.0 113.381 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.22 137.8 43.29 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.93 145.12 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 160.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -129.98 159.8 35.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.019 1.328 . . . . 0.0 108.309 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.68 -158.79 20.32 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.707 167.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.7 170.0 72.73 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 CA-C-O 122.712 1.047 . . . . 0.0 113.319 9.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.09 165.29 25.4 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.586 1.954 . . . . 0.0 107.967 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -97.29 154.97 17.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.957 0.903 . . . . 0.0 110.865 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -25.22 66.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 118.956 -0.545 . . . . 0.0 112.36 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -66.91 -51.27 57.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.54 -48.65 76.83 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 123.621 0.769 . . . . 0.0 110.753 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.48 -40.93 96.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.303 -0.855 . . . . 0.0 111.456 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -60.0 -49.48 77.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.525 1.057 . . . . 0.0 109.729 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.52 78.38 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 123.686 0.616 . . . . 0.0 110.603 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -70.78 -31.64 68.49 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -62.72 -38.65 91.32 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.226 0.921 . . . . 0.0 109.269 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -79.25 -46.28 18.13 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.608 1.163 . . . . 0.0 110.475 -174.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.21 7.26 2.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.027 1.731 . . . . 0.0 113.18 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 55.18 44.23 28.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.879 2.072 . . . . 0.0 114.343 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -78.67 -13.34 59.87 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.304 -0.872 . . . . 0.0 112.144 164.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -116.87 -158.79 0.71 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.293 1.837 . . . . 0.0 108.543 -167.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.4 p -125.06 160.3 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.872 0.869 . . . . 0.0 109.447 -171.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -68.62 2.32 2.54 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -136.07 31.21 2.98 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.332 1.853 . . . . 0.0 108.386 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -79.08 102.77 8.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.237 -0.914 . . . . 0.0 108.68 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.57 165.94 15.81 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.232 -0.917 . . . . 0.0 109.695 168.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.01 154.83 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 127.116 2.166 . . . . 0.0 107.68 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -134.37 155.84 49.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.4 mtt -73.18 158.97 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.609 1.195 . . . . 0.0 111.215 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.21 101.26 0.28 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.858 1.663 . . . . 0.0 110.757 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.77 13.92 51.61 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.655 -1.081 . . . . 0.0 112.367 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.57 170.66 9.31 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 119.366 1.583 . . . . 0.0 109.698 163.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -75.18 144.17 42.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.506 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 55.8 ttm -62.51 -32.7 73.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.444 0.64 . . . . 0.0 110.708 169.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.01 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.785 -1.197 . . . . 0.0 110.705 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -81.17 10.25 5.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.098 0.863 . . . . 0.0 112.372 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 123.4 18.14 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.221 0.918 . . . . 0.0 110.366 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -96.05 164.3 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 124.88 1.272 . . . . 0.0 107.591 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.73 132.8 49.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 tp -55.3 -38.91 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 164.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -69.1 -23.34 64.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.683 0.674 . . . . 0.0 111.422 -178.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.93 -54.31 8.21 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.211 0.914 . . . . 0.0 108.826 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.04 -34.0 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.442 1.097 . . . . 0.0 111.193 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -27.24 63.2 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.032 1.733 . . . . 0.0 113.042 173.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -93.76 -39.11 10.93 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.636 1.574 . . . . 0.0 110.818 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.99 -52.3 65.6 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 119.235 0.925 . . . . 0.0 109.84 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -68.15 150.85 47.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.05 0.94 . . . . 0.0 108.778 170.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.56 179.79 38.16 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -76.32 65.6 7.18 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.416 3.41 . . . . 0.0 111.846 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -148.66 171.45 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.083 1.353 . . . . 0.0 108.721 171.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -22.86 23.85 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.69 -0.631 . . . . 0.0 110.847 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 N-CA-C 105.706 -2.958 . . . . 0.0 105.706 -153.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.978 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -99.93 163.35 12.48 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 118.662 1.231 . . . . 0.0 111.231 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 m 57.57 -169.98 0.11 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.93 1.692 . . . . 0.0 113.023 -174.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.57 21.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.302 1.906 . . . . 0.0 109.226 -163.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -126.74 125.57 42.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.962 0.905 . . . . 0.0 108.702 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -155.68 -176.62 6.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.581 -0.7 . . . . 0.0 110.48 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.24 -161.84 8.95 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 106.471 -2.652 . . . . 0.0 106.471 173.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.59 106.43 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 162.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -66.22 174.56 2.55 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.372 1.069 . . . . 0.0 108.479 170.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.0 m -64.63 154.63 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 157.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.13 132.22 43.03 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 170.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -135.66 108.55 7.59 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 126.7 2.0 . . . . 0.0 106.625 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -64.87 101.64 0.51 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.83 124.93 30.77 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 168.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -92.55 -4.71 53.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.278 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -114.52 -48.55 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.421 1.488 . . . . 0.0 108.596 -171.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.36 143.09 57.37 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.283 1.401 . . . . 0.0 110.4 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -77.92 93.74 4.46 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.714 1.206 . . . . 0.0 108.072 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -131.5 0.27 4.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -168.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -125.83 130.84 52.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.754 0.822 . . . . 0.0 109.31 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -108.22 157.91 17.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 126.004 1.722 . . . . 0.0 108.624 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -140.52 154.64 46.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 163.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.549 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -93.25 128.29 39.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 166.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -82.4 167.95 26.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 O-C-N 123.103 0.252 . . . . 0.0 110.497 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.16 -16.09 43.88 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.131 2.554 . . . . 0.0 114.865 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.53 -19.33 62.91 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 119.876 1.216 . . . . 0.0 110.065 172.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 33.12 5.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 125.249 1.404 . . . . 0.0 111.068 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.01 137.94 54.62 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.711 1.605 . . . . 0.0 108.362 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.07 116.17 23.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 169.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -95.48 161.16 14.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.759 0.823 . . . . 0.0 109.136 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.02 -153.41 19.45 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.422 -0.655 . . . . 0.0 112.341 169.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.71 166.98 81.57 Favored 'Cis proline' 0 N--CA 1.457 -0.62 0 CA-C-N 118.645 1.222 . . . . 0.0 111.796 4.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 165.15 25.99 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 126.542 1.937 . . . . 0.0 109.085 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 p -80.69 161.4 24.63 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.18 -22.08 62.99 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.93 -1.106 . . . . 0.0 110.823 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -72.17 -39.71 68.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 109.513 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.1 -52.27 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.19 -45.08 94.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 112.222 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.65 91.49 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.03 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.02 83.13 Favored 'General case' 0 CA--C 1.526 0.058 0 CA-C-N 119.301 0.955 . . . . 0.0 111.506 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -67.7 -36.62 80.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.208 0.603 . . . . 0.0 112.218 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -69.83 -39.11 76.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.118 0.872 . . . . 0.0 109.999 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -57.97 -46.63 84.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.563 1.145 . . . . 0.0 107.917 173.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -3.21 12.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.096 1.759 . . . . 0.0 113.868 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 63.22 26.92 15.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.693 1.997 . . . . 0.0 113.488 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.35 -49.15 78.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 122.092 0.948 . . . . 0.0 108.918 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -92.59 172.19 8.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.029 1.332 . . . . 0.0 110.678 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 73.0 p -112.45 167.11 10.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.609 0.719 . . . . 0.0 111.339 -157.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -65.72 -1.5 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.49 1.516 . . . . 0.0 113.383 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -143.52 40.1 1.43 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.161 1.346 . . . . 0.0 109.764 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -77.67 150.49 34.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -133.44 160.35 37.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.432 1.093 . . . . 0.0 112.434 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.69 157.88 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.724 1.61 . . . . 0.0 108.969 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -135.22 159.89 40.12 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.277 1.031 . . . . 0.0 108.716 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.0 mtt -75.06 156.55 36.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.435 0.636 . . . . 0.0 110.679 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -60.78 143.53 54.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.973 -0.455 . . . . 0.0 110.101 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.49 6.33 86.56 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.614 -1.103 . . . . 0.0 113.567 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -115.76 167.05 11.27 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.951 1.376 . . . . 0.0 109.004 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 148.82 33.72 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.299 1.439 . . . . 0.0 110.182 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.549 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 31.9 ttm -63.36 -32.2 73.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.894 177.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.28 -25.95 65.41 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.642 -0.662 . . . . 0.0 111.513 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.6 m -80.61 8.52 7.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.168 0.987 . . . . 0.0 112.507 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.59 136.88 58.18 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 119.934 1.243 . . . . 0.0 110.518 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -96.98 164.07 2.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.022 1.729 . . . . 0.0 108.956 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.79 122.74 19.21 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.89 -33.55 62.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.06 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 p -66.55 -24.88 66.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.313 0.645 . . . . 0.0 112.332 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -73.3 -55.5 6.33 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.68 -39.22 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.537 1.535 . . . . 0.0 111.48 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -49.9 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.695 0.798 . . . . 0.0 111.269 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.31 -41.34 96.88 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 123.136 0.574 . . . . 0.0 110.96 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.89 -37.74 83.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.814 0.734 . . . . 0.0 109.172 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -85.39 26.06 0.95 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.563 1.545 . . . . 0.0 112.199 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.38 159.96 13.51 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.004 1.288 . . . . 0.0 110.302 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.72 160.83 48.23 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.843 2.362 . . . . 0.0 110.262 169.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.9 74.19 6.65 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.07 0.948 . . . . 0.0 110.061 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -153.97 92.07 1.51 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.419 1.488 . . . . 0.0 107.551 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 116.988 -2.007 . . . . 0.0 112.678 -172.802 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.864 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -161.38 163.7 30.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.837 2.055 . . . . 0.0 107.136 170.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -157.81 168.79 26.2 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.905 0.775 . . . . 0.0 109.417 158.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -171.35 38.34 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.69 0.662 . . . . 0.0 111.632 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 m 60.03 78.62 0.27 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 128.397 2.679 . . . . 0.0 114.265 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -138.08 -3.7 1.77 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.031 1.332 . . . . 0.0 113.563 168.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.0 -178.2 21.43 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 120.11 1.323 . . . . 0.0 111.346 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 m -84.72 75.87 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 122.971 1.367 . . . . 0.0 110.227 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -68.08 156.49 37.3 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 120.487 -1.383 . . . . 0.0 110.681 167.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -48.45 130.64 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 O-C-N 124.991 1.432 . . . . 0.0 107.699 167.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 pp -145.55 132.03 19.75 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 m -136.16 147.05 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.926 1.69 . . . . 0.0 108.071 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -62.79 134.88 56.93 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.968 0.907 . . . . 0.0 109.26 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.37 98.13 8.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -165.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -115.42 -34.41 4.94 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.354 -167.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.28 -11.27 22.78 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.992 0.808 . . . . 0.0 110.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -109.35 143.0 39.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 117.19 12.14 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 119.55 1.068 . . . . 0.0 108.483 174.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.56 10.55 0.65 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -126.3 133.83 51.3 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.352 1.061 . . . . 0.0 109.658 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.64 147.29 32.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 126.242 1.817 . . . . 0.0 108.441 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -138.54 141.92 39.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.418 1.087 . . . . 0.0 108.959 170.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.16 122.43 31.72 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -65.13 166.16 14.03 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.616 -0.677 . . . . 0.0 109.204 172.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -76.13 -13.09 19.24 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 120.865 1.043 . . . . 0.0 111.954 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.0 -20.93 62.35 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.151 1.38 . . . . 0.0 111.129 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 -1.02 12.77 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.367 1.46 . . . . 0.0 113.08 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.99 136.99 39.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.534 1.534 . . . . 0.0 110.099 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.88 96.91 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -84.14 172.11 12.23 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.466 0.706 . . . . 0.0 110.737 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.91 -157.03 25.89 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.71 170.66 68.0 Favored 'Cis proline' 0 N--CA 1.458 -0.593 0 CA-C-N 118.178 0.989 . . . . 0.0 113.042 6.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -133.96 160.89 36.34 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.944 1.697 . . . . 0.0 110.139 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 147.11 28.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.962 1.705 . . . . 0.0 108.389 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.68 -34.06 73.78 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 121.728 -0.608 . . . . 0.0 111.347 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -66.14 -37.62 86.13 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.496 0.589 . . . . 0.0 110.614 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.15 -47.89 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.483 0.583 . . . . 0.0 109.471 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.35 -42.62 91.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.542 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -57.22 -59.74 4.65 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.219 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.26 67.75 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.073 0.852 . . . . 0.0 111.716 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.27 -44.13 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.097 0.959 . . . . 0.0 111.289 175.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.28 74.07 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.193 0.906 . . . . 0.0 110.672 170.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.41 -2.02 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 129.375 3.07 . . . . 0.0 112.811 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.53 8.49 13.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.222 1.809 . . . . 0.0 112.079 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 57.95 38.78 26.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.762 2.025 . . . . 0.0 113.223 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -73.91 -29.14 61.89 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.058 -1.651 . . . . 0.0 110.94 164.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -127.58 166.81 17.33 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.886 1.275 . . . . 0.0 110.561 -165.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.4 p -102.46 166.8 10.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.134 1.373 . . . . 0.0 110.515 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -79.88 -11.75 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.663 -1.273 . . . . 0.0 113.958 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -99.41 25.18 7.22 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 120.5 1.5 . . . . 0.0 111.018 167.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -71.96 100.41 2.45 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.463 -2.023 . . . . 0.0 109.482 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.72 158.47 20.76 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 120.648 -1.282 . . . . 0.0 110.627 167.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 m -142.46 164.26 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.92 1.688 . . . . 0.0 109.032 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.6 p90 -133.57 162.27 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.0 mtt -73.1 155.1 40.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.706 . . . . 0.0 111.556 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -61.96 135.63 57.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 122.05 -0.406 . . . . 0.0 110.135 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.32 -8.09 34.57 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.313 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 170.88 10.22 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.695 1.748 . . . . 0.0 110.834 171.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 t -74.98 144.67 43.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.911 0.884 . . . . 0.0 109.51 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.5 ttm -62.77 -36.11 82.01 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.66 -14.92 60.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.43 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -101.66 26.01 7.86 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.92 1.288 . . . . 0.0 110.773 173.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 169.77 1.44 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.69 1.233 . . . . 0.0 112.195 170.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.53 164.59 28.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 127.709 2.404 . . . . 0.0 107.031 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -75.64 133.26 40.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.024 -1.048 . . . . 0.0 108.625 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.63 -33.81 56.39 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.372 0.669 . . . . 0.0 110.507 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.8 p -71.99 -29.0 63.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.377 -0.827 . . . . 0.0 112.512 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -53.02 53.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 171.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.82 -34.31 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 123.18 0.592 . . . . 0.0 111.482 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.63 -38.83 87.72 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 121.112 -0.992 . . . . 0.0 112.19 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -63.89 -33.49 75.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.117 0.871 . . . . 0.0 109.865 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -77.72 -54.23 6.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.46 1.027 . . . . 0.0 111.119 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.55 44.8 1.06 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.94 -1.1 . . . . 0.0 112.566 -160.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.45 169.82 49.77 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.723 0.678 . . . . 0.0 113.782 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -73.32 -167.56 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 125.253 3.969 . . . . 0.0 110.467 162.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -76.08 103.25 6.04 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.806 -0.559 . . . . 0.0 109.549 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m 70.43 158.11 0.18 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 127.478 2.311 . . . . 0.0 114.899 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.436 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -178.41 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.082 0 CA-C-O 119.59 -0.561 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -136.93 166.09 24.47 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 126.162 1.785 . . . . 0.0 108.607 168.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.47 163.03 13.22 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.638 0.775 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 173.06 34.5 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.577 2.036 . . . . 0.0 108.101 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -79.49 61.69 3.59 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.337 1.068 . . . . 0.0 111.695 -176.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -76.61 106.22 8.13 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 169.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 174.27 53.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.7 m -124.88 -170.64 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.788 1.635 . . . . 0.0 107.973 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 50.03 52.62 14.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.234 1.414 . . . . 0.0 110.163 -168.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.75 153.64 38.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 127.67 2.388 . . . . 0.0 106.695 175.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.69 148.57 32.15 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 126.962 2.105 . . . . 0.0 106.158 162.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -136.29 160.13 39.64 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 128.476 2.71 . . . . 0.0 107.048 162.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.58 100.84 11.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.14 127.47 32.36 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -174.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -97.0 -15.55 21.02 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.188 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -108.64 -34.73 6.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.556 1.071 . . . . 0.0 111.358 -170.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -78.5 148.07 33.62 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 121.12 -0.987 . . . . 0.0 108.472 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.03 98.89 3.73 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -178.627 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.99 1.52 2.27 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -125.39 118.47 25.95 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.923 0.889 . . . . 0.0 108.783 -173.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.59 162.98 13.4 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.99 2.116 . . . . 0.0 108.612 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 19.3 p90 -152.58 170.1 21.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.085 0.954 . . . . 0.0 109.39 170.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.18 125.29 52.05 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 109.23 168.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.35 176.72 3.53 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.604 1.162 . . . . 0.0 109.284 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -66.68 -18.11 53.22 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.873 1.715 . . . . 0.0 111.736 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -17.61 63.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.293 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 19.21 68.22 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.041 0.837 . . . . 0.0 112.404 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.79 151.57 25.53 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.55 158.93 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 161.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -140.76 165.11 28.4 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 171.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.75 -145.24 16.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 165.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -67.19 170.77 44.81 Favored 'Cis proline' 0 N--CA 1.456 -0.734 0 CA-C-N 118.381 1.09 . . . . 0.0 110.94 -3.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -131.4 163.22 28.38 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.692 1.597 . . . . 0.0 109.148 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 153.89 35.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.686 0.794 . . . . 0.0 109.463 169.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.84 -36.49 81.34 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.268 170.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -55.5 -52.01 65.07 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.6 0.636 . . . . 0.0 110.046 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.96 -51.03 69.75 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.323 0.649 . . . . 0.0 110.758 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.29 -40.58 86.59 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.757 -0.59 . . . . 0.0 111.552 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.3 -49.38 77.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.162 0.585 . . . . 0.0 109.535 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.19 -28.9 69.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.301 0.376 . . . . 0.0 111.419 -174.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -78.35 -34.8 48.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.508 1.123 . . . . 0.0 112.15 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 t -60.13 -35.87 76.23 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.272 0.942 . . . . 0.0 109.708 168.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -45.35 93.91 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.119 1.768 . . . . 0.0 109.558 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.21 10.42 3.64 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.719 . . . . 0.0 113.633 173.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 63.39 12.67 6.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.764 2.026 . . . . 0.0 114.576 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -66.05 9.09 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.014 2.125 . . . . 0.0 114.616 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -142.79 169.79 16.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.529 1.932 . . . . 0.0 108.821 -169.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -89.93 150.78 22.02 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.776 0.831 . . . . 0.0 109.443 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -8.31 37.06 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.912 -1.117 . . . . 0.0 113.59 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.78 86.57 2.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 155.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -95.24 131.12 41.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -108.24 156.58 19.2 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.139 0.881 . . . . 0.0 111.21 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -140.38 157.52 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 125.496 1.518 . . . . 0.0 108.444 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 38.2 p90 -139.14 154.75 48.15 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtm -77.4 158.4 30.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.709 0.766 . . . . 0.0 111.361 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -64.98 105.76 1.1 Allowed 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.638 1.175 . . . . 0.0 110.934 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.7 -14.48 14.68 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.765 1.65 . . . . 0.0 111.328 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.46 173.44 7.91 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 119.311 1.556 . . . . 0.0 110.294 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.72 160.27 15.43 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 165.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.402 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.1 ttm -67.35 -32.93 74.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.663 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.28 -27.52 69.39 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.008 -0.52 . . . . 0.0 112.062 174.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -73.97 3.03 7.39 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.84 0.745 . . . . 0.0 112.23 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.74 150.1 42.13 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 119.887 1.221 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.3 m -124.57 157.34 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 125.792 1.637 . . . . 0.0 107.932 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.5 127.04 29.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.65 -30.16 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.602 0.361 . . . . 0.0 111.032 171.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.38 -31.7 72.64 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.054 -1.029 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.45 -50.99 56.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.8 -37.34 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.133 1.373 . . . . 0.0 110.13 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.62 -53.04 42.77 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.346 1.458 . . . . 0.0 111.365 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -62.7 -47.08 85.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.794 0.438 . . . . 0.0 110.217 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.98 -32.28 73.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.472 0.578 . . . . 0.0 112.366 -176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.5 t -87.31 4.08 44.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.302 1.441 . . . . 0.0 112.114 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.14 157.59 14.87 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -66.04 167.6 17.6 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.558 2.172 . . . . 0.0 110.2 167.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 p -54.18 135.65 43.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 87.74 3.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 174.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.76 0 N-CA-C 106.172 -2.771 . . . . 0.0 106.172 -157.144 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -154.61 163.7 39.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.422 1.111 . . . . 0.0 108.653 162.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 p -143.76 159.87 41.73 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.535 1.934 . . . . 0.0 106.54 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.12 76.29 0.22 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 173.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.24 129.02 11.59 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.505 2.322 . . . . 0.0 105.117 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -70.46 145.61 50.86 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.49 72.65 0.79 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 124.053 0.835 . . . . 0.0 112.036 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 m -70.39 63.03 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 124.604 1.162 . . . . 0.0 110.534 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 56.48 172.02 0.03 OUTLIER 'General case' 0 C--O 1.236 0.374 0 C-N-CA 128.338 2.655 . . . . 0.0 112.071 -160.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.68 151.86 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.1 70.17 1.47 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -74.56 134.95 42.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 -169.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -71.0 101.94 2.31 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.63 159.36 28.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.63 1.172 . . . . 0.0 109.758 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -24.2 10.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 -171.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.87 -24.36 2.96 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -158.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 157.51 22.44 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -83.12 102.88 12.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.58 -4.77 2.91 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -121.66 117.7 27.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.506 1.122 . . . . 0.0 109.226 -170.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -92.3 154.39 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 126.456 1.902 . . . . 0.0 109.727 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -139.16 153.41 47.94 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 165.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -90.12 113.32 25.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 171.634 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -67.16 163.2 47.68 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 118.174 0.443 . . . . 0.0 109.872 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.31 -4.86 16.08 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.568 1.512 . . . . 0.0 112.337 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.51 -19.75 52.29 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 120.027 1.285 . . . . 0.0 110.871 169.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.94 4.42 21.06 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.893 1.711 . . . . 0.0 113.163 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.07 133.5 48.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 119.014 1.407 . . . . 0.0 108.991 -166.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -77.2 93.0 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -83.2 160.26 21.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.042 0.925 . . . . 0.0 110.883 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.97 -155.85 20.04 Favored Glycine 0 N--CA 1.438 -1.224 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.762 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.3 169.49 72.89 Favored 'Cis proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.63 -0.987 . . . . 0.0 111.95 11.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -131.02 163.41 27.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 127.411 2.284 . . . . 0.0 106.756 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.8 p -85.92 164.16 17.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.22 -31.0 72.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 123.331 0.653 . . . . 0.0 110.977 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 m -73.36 -39.31 65.26 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.387 0.994 . . . . 0.0 109.772 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.27 -49.86 74.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.487 0.585 . . . . 0.0 110.006 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -67.21 -44.33 79.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.302 1.041 . . . . 0.0 111.13 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -58.39 -45.11 88.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.579 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.48 75.64 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.377 0.99 . . . . 0.0 111.622 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -71.74 -42.48 67.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.52 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 t -59.32 -45.56 90.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.659 0.784 . . . . 0.0 110.282 175.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -53.66 -56.31 18.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.738 2.015 . . . . 0.0 108.759 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.76 11.07 1.84 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.019 2.528 . . . . 0.0 114.622 176.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 51.54 36.17 16.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.895 1.678 . . . . 0.0 114.681 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.93 -12.79 61.4 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.493 -1.379 . . . . 0.0 113.226 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.53 -148.09 0.42 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.068 1.347 . . . . 0.0 108.953 -169.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.9 p -127.3 159.89 33.0 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.458 1.103 . . . . 0.0 108.494 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.93 -53.16 60.63 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 121.461 -0.774 . . . . 0.0 109.186 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.15 35.47 0.32 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.647 1.179 . . . . 0.0 113.466 -172.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -92.57 146.8 23.39 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.212 1.805 . . . . 0.0 110.738 -170.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 162.89 28.12 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.131 0.972 . . . . 0.0 112.962 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.16 154.54 15.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 126.106 1.762 . . . . 0.0 109.664 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.434 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 10.5 p90 -146.53 158.93 43.98 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.266 1.026 . . . . 0.0 110.45 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 mtt -73.54 159.88 32.51 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.374 0.607 . . . . 0.0 111.843 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -60.08 154.0 20.37 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.86 -36.2 1.24 Allowed Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.869 1.7 . . . . 0.0 113.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 170.59 11.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.533 1.167 . . . . 0.0 112.749 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -71.87 145.86 48.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.463 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 24.9 ttm -60.78 -39.0 87.18 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.224 171.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -68.15 -24.2 64.96 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.82 -0.55 . . . . 0.0 112.17 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 m -73.87 4.73 4.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.37 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 161.26 6.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.721 1.146 . . . . 0.0 111.678 173.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.59 169.73 20.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.608 1.563 . . . . 0.0 108.339 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.82 129.12 38.95 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.35 -32.33 56.55 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.864 -0.523 . . . . 0.0 111.321 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 p -65.04 -32.58 74.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.436 0.694 . . . . 0.0 111.194 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -51.01 42.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.4 -41.53 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.694 0.798 . . . . 0.0 111.052 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.96 -47.54 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.746 0.818 . . . . 0.0 113.002 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -71.36 -35.67 71.22 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.24 1.016 . . . . 0.0 111.84 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.18 -36.08 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.383 0.673 . . . . 0.0 110.469 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.3 p -70.25 165.89 21.25 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.373 0.669 . . . . 0.0 110.289 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 179.94 173.05 44.59 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 121.549 -0.719 . . . . 0.0 112.438 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.88 151.15 62.43 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.599 2.866 . . . . 0.0 109.866 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 m -68.68 125.6 27.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.883 -0.511 . . . . 0.0 109.761 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -156.35 140.76 16.72 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 170.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.793 0 CA-C-O 116.965 -2.019 . . . . 0.0 110.541 -167.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.343 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 65.36 44.12 3.27 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.076 0.951 . . . . 0.0 109.288 -161.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -139.31 173.45 11.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.401 1.88 . . . . 0.0 108.41 -167.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.4 -103.31 2.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m 39.26 -95.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.796 2.039 . . . . 0.0 111.917 -166.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -146.79 172.01 14.3 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 119.753 1.161 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.92 87.91 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 106.627 -2.589 . . . . 0.0 106.627 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.251 9.6 p -73.92 87.49 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 122.328 1.061 . . . . 0.0 109.435 -171.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 44.73 8.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 130.664 3.586 . . . . 0.0 116.207 -153.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 t -70.18 123.21 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -138.69 87.87 2.25 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.688 1.195 . . . . 0.0 108.485 172.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 t -75.39 160.45 30.26 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.303 -0.873 . . . . 0.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.29 102.1 12.44 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.852 1.261 . . . . 0.0 108.976 -170.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -74.52 108.45 7.3 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.939 1.296 . . . . 0.0 108.23 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -80.46 -21.9 41.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -103.6 -5.78 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.626 1.171 . . . . 0.0 110.855 -163.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -111.09 149.94 30.1 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.578 0.751 . . . . 0.0 110.106 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -80.41 91.88 5.76 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.39 3.73 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.817 1.247 . . . . 0.0 112.063 -168.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -121.3 145.49 47.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 mt -117.35 153.2 33.41 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.517 1.927 . . . . 0.0 106.539 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -134.76 154.5 51.56 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.05 1.34 . . . . 0.0 109.26 163.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -91.48 126.57 36.61 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 161.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -74.43 -179.04 0.89 Allowed Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.613 0.765 . . . . 0.0 109.299 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.06 -24.94 7.8 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 121.653 1.569 . . . . 0.0 111.718 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.99 -23.51 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.851 1.66 . . . . 0.0 110.517 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.97 5.37 47.3 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.79 1.662 . . . . 0.0 111.796 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.31 132.26 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.689 1.245 . . . . 0.0 107.995 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.6 t -73.31 112.88 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 158.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -80.95 -158.95 0.22 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.564 0.745 . . . . 0.0 109.14 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.05 -169.45 50.05 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.469 -1.395 . . . . 0.0 115.067 146.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 175.53 47.35 Favored 'Cis proline' 0 CA--C 1.539 0.731 0 CA-C-N 117.924 0.862 . . . . 0.0 113.891 7.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -140.47 165.46 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.899 2.08 . . . . 0.0 110.816 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.31 152.85 20.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.778 175.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.43 -45.0 62.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.042 1.337 . . . . 0.0 110.429 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.4 m -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.269 0.628 . . . . 0.0 110.995 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.81 -44.7 76.68 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.141 0.428 . . . . 0.0 110.444 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.8 -42.42 97.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.368 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -59.79 -51.21 70.7 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.294 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.434 1.016 . . . . 0.0 110.616 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -68.63 -42.65 77.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.029 0.931 . . . . 0.0 112.424 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -41.59 97.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.375 0.989 . . . . 0.0 110.258 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.4 -26.76 68.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.389 1.876 . . . . 0.0 111.994 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.15 20.13 14.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.531 1.532 . . . . 0.0 111.394 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 54.13 23.56 4.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.695 2.398 . . . . 0.0 115.017 170.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -65.33 -5.28 6.94 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.167 -0.958 . . . . 0.0 113.179 174.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -131.74 168.15 18.27 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.561 1.544 . . . . 0.0 109.07 -170.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -96.22 173.62 7.3 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.413 1.085 . . . . 0.0 110.095 -170.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -84.52 7.8 18.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.304 1.042 . . . . 0.0 111.089 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -133.7 26.21 4.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.082 1.753 . . . . 0.0 109.066 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -86.23 137.53 32.55 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.115 1.366 . . . . 0.0 109.726 -173.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -126.84 164.43 21.4 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.64 153.03 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.09 1.756 . . . . 0.0 108.18 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.406 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 15.7 p90 -140.95 158.93 43.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 mtt -74.14 157.9 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.479 0.657 . . . . 0.0 109.887 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -57.34 130.15 44.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 122.913 0.485 . . . . 0.0 110.058 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.13 -2.91 59.68 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.296 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -80.22 167.58 20.14 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.954 1.377 . . . . 0.0 108.516 166.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.09 144.14 33.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.582 -0.699 . . . . 0.0 109.126 -177.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.406 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 41.8 ttm -59.35 -27.1 65.62 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 122.298 1.047 . . . . 0.0 111.927 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.251 20.7 mt-10 -79.87 -7.17 58.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.078 1.751 . . . . 0.0 111.985 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -88.37 -1.23 57.92 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.482 1.113 . . . . 0.0 112.603 161.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.53 123.77 20.56 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.507 1.503 . . . . 0.0 111.271 -169.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.79 166.69 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 126.216 1.806 . . . . 0.0 109.493 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.26 130.87 44.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.6 tp -53.34 -33.92 55.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.013 0.525 . . . . 0.0 112.367 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 p -61.73 -41.45 97.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.168 0.587 . . . . 0.0 110.382 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.63 -51.49 59.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.18 -29.95 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.01 -57.28 7.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.412 1.006 . . . . 0.0 110.198 165.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -63.42 -37.56 87.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.18 -19.6 61.77 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.138 -1.601 . . . . 0.0 113.141 169.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -47.64 13.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.754 1.161 . . . . 0.0 111.187 172.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.03 160.71 28.5 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 119.669 1.122 . . . . 0.0 114.4 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.36 79.44 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 124.453 3.435 . . . . 0.0 111.931 -169.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 105.33 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.479 1.912 . . . . 0.0 108.164 -168.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -50.16 145.29 6.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.151 0.98 . . . . 0.0 111.654 -173.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 N-CA-C 105.138 -3.185 . . . . 0.0 105.138 161.633 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.649 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m 52.36 60.69 3.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.376 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -151.63 155.29 38.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.662 1.585 . . . . 0.0 107.001 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 86.99 0.96 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 126.638 2.066 . . . . 0.0 110.79 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.69 176.42 8.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.162 0.985 . . . . 0.0 108.681 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -80.92 171.85 14.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.844 0.83 . . . . 0.0 110.338 170.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.13 172.57 19.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 126.115 1.817 . . . . 0.0 110.592 176.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -94.6 104.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 33.48 46.94 0.13 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.444 2.698 . . . . 0.0 114.658 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -136.17 75.5 1.55 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.781 1.232 . . . . 0.0 108.352 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -91.32 152.32 20.51 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 156.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -82.0 102.53 11.03 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.75 133.86 43.37 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -17.08 34.69 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.05 -24.7 9.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.521 0.601 . . . . 0.0 111.536 -150.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 150.41 21.62 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.43 1.092 . . . . 0.0 110.943 173.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' H ' ' CD2' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.47 99.84 7.42 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.186 0.995 . . . . 0.0 109.449 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.1 6.64 2.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -168.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -128.82 129.64 45.88 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.001 0.92 . . . . 0.0 109.345 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.7 mt -110.42 156.81 20.3 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 127.352 2.261 . . . . 0.0 109.692 -173.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.62 150.53 33.42 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.622 0.369 . . . . 0.0 110.847 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -89.54 114.22 25.74 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.767 1.627 . . . . 0.0 107.823 169.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.13 164.66 40.14 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.73 -23.2 56.76 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.731 3.621 . . . . 0.0 112.379 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -75.57 -7.72 54.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.72 0.808 . . . . 0.0 113.166 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.53 73.31 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.984 -1.073 . . . . 0.0 113.357 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.67 127.07 29.73 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.069 1.348 . . . . 0.0 107.73 171.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.51 113.19 14.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 161.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.69 168.76 10.8 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.892 0.877 . . . . 0.0 109.407 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.44 -165.02 36.81 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.65 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.05 169.24 72.62 Favored 'Cis proline' 0 N--CA 1.455 -0.744 0 C-N-CA 124.921 -0.866 . . . . 0.0 112.966 20.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.54 162.23 32.46 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.954 1.301 . . . . 0.0 109.26 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.04 151.21 28.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.315 1.046 . . . . 0.0 108.939 174.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.99 -31.16 72.23 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.378 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.1 m -58.52 -45.66 88.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.022 0.828 . . . . 0.0 111.209 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.92 -42.24 81.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.654 0.661 . . . . 0.0 109.913 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.79 -43.34 89.04 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.255 0.622 . . . . 0.0 110.42 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -54.83 -53.52 54.27 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.616 0.644 . . . . 0.0 109.625 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.25 68.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.322 -0.371 . . . . 0.0 111.791 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.05 -30.33 26.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.271 0.941 . . . . 0.0 113.075 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.8 t -60.94 -47.71 85.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.351 0.978 . . . . 0.0 108.665 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.3 -40.32 81.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.568 1.947 . . . . 0.0 110.289 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.29 10.06 9.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.196 1.798 . . . . 0.0 114.2 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 59.46 24.4 13.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.003 2.121 . . . . 0.0 115.019 174.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -70.16 -0.53 7.99 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.335 -1.478 . . . . 0.0 113.419 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 51' ' ' PHE . 19.9 m-85 -131.71 -178.44 4.87 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.05 1.34 . . . . 0.0 111.978 -164.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -121.24 164.2 17.34 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.674 1.59 . . . . 0.0 110.959 -167.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.83 -26.9 66.18 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.582 -0.698 . . . . 0.0 112.402 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -120.04 39.86 3.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.124 0.97 . . . . 0.0 109.681 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 47' ' ' PHE . 23.2 t80 -75.98 107.53 8.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.76 167.34 11.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 120.851 -1.156 . . . . 0.0 109.943 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.2 153.16 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.281 1.032 . . . . 0.0 108.664 167.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.421 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 23.3 p90 -120.7 159.93 24.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.763 0.825 . . . . 0.0 109.408 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 41.5 mtt -70.98 155.12 41.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.403 0.621 . . . . 0.0 110.946 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.8 p -57.66 137.87 55.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 165.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.23 77.99 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-O 117.713 -1.604 . . . . 0.0 114.552 -176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.76 170.52 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.039 2.42 . . . . 0.0 110.694 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -79.12 148.77 32.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.368 2.267 . . . . 0.0 110.067 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.421 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.2 ttm -63.88 -30.23 71.34 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.551 -0.718 . . . . 0.0 111.1 172.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.25 -19.39 65.51 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.451 -1.406 . . . . 0.0 111.823 173.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -9.76 59.03 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.117 0.871 . . . . 0.0 111.657 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 119.91 10.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 119.433 1.015 . . . . 0.0 111.222 -169.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.88 158.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.464 1.506 . . . . 0.0 109.64 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' H ' ' CD2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -64.82 124.25 21.48 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.381 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.1 tp -52.44 -25.81 11.04 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 165.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -79.99 -24.91 40.54 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.169 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.07 -46.66 22.9 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.11 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 118.704 0.684 . . . . 0.0 111.386 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.8 -20.45 61.56 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.041 -1.037 . . . . 0.0 113.06 170.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -89.17 -47.65 7.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.791 1.237 . . . . 0.0 110.879 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.87 -14.09 41.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 111.693 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -123.62 49.48 1.71 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.977 2.111 . . . . 0.0 109.03 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.39 173.58 19.54 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.431 1.015 . . . . 0.0 110.698 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.89 147.47 19.15 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.467 2.778 . . . . 0.0 109.746 165.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 t -57.88 104.82 0.21 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.236 1.414 . . . . 0.0 108.771 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.4 m 11.91 78.75 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.955 2.902 . . . . 0.0 115.177 -170.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 105.683 -2.967 . . . . 0.0 105.683 158.486 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.24 116.35 28.88 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 124.729 1.212 . . . . 0.0 107.842 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.49 2.14 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.11 167.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -112.24 -61.74 1.67 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 124.477 1.111 . . . . 0.0 108.831 -166.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 153.81 35.46 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.971 0.805 . . . . 0.0 110.615 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.88 99.62 9.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.9 -0.72 4.76 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -125.26 118.22 25.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.691 1.132 . . . . 0.0 109.829 -169.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -90.76 157.68 17.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.522 1.929 . . . . 0.0 108.613 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 p90 -145.03 154.38 42.45 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.691 0.396 . . . . 0.0 110.079 166.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 2.2 tttt -96.14 121.81 38.31 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.76 1.624 . . . . 0.0 108.872 172.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -78.54 174.11 6.58 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.104 1.362 . . . . 0.0 111.343 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -84.34 -3.29 10.14 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.87 2.38 . . . . 0.0 113.603 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -25.04 60.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.596 1.089 . . . . 0.0 109.487 160.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.37 -2.39 26.56 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.017 2.246 . . . . 0.0 112.438 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.8 143.2 28.42 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 119.326 1.563 . . . . 0.0 109.285 -171.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.5 t -81.72 130.03 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 168.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -113.66 176.1 5.17 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.078 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.41 -156.49 27.0 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 121.977 -0.452 . . . . 0.0 112.461 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.26 171.45 68.03 Favored 'Cis proline' 0 N--CA 1.454 -0.815 0 CA-C-N 118.244 1.022 . . . . 0.0 112.258 9.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -131.8 162.1 31.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.8 2.04 . . . . 0.0 108.187 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -86.67 161.65 18.34 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.86 -29.53 70.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.05 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.9 m -58.02 -42.7 85.85 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.234 1.834 . . . . 0.0 110.775 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -70.15 -55.58 9.02 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.78 -41.6 82.38 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.727 0.411 . . . . 0.0 110.75 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -56.94 -58.21 9.15 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.964 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.0 72.84 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 118.904 0.774 . . . . 0.0 111.271 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -65.51 -41.16 93.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.124 0.969 . . . . 0.0 111.532 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -65.31 -20.71 66.52 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.145 -0.972 . . . . 0.0 112.045 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.62 -6.37 40.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.455 2.302 . . . . 0.0 111.565 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.83 9.97 13.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.153 1.781 . . . . 0.0 114.876 -173.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 57.74 38.61 27.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 113.653 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -82.35 -24.05 34.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.012 -1.055 . . . . 0.0 111.837 167.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -134.08 176.57 8.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 110.537 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.5 p -121.12 163.95 17.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.802 1.241 . . . . 0.0 108.399 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -54.66 -37.1 65.3 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.358 -0.839 . . . . 0.0 113.007 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -85.88 69.14 10.54 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 108.337 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -133.04 98.5 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 126.449 1.9 . . . . 0.0 107.769 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -87.62 161.66 17.57 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.157 -0.965 . . . . 0.0 111.561 170.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 141.27 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 127.55 2.34 . . . . 0.0 108.005 -173.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 13.0 p90 -132.52 157.29 45.06 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.637 1.175 . . . . 0.0 109.243 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 49.2 mtm -79.24 160.13 27.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 122.147 0.975 . . . . 0.0 112.046 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -61.01 97.44 0.06 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.182 2.193 . . . . 0.0 111.94 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.07 0.2 41.43 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 118.712 -1.049 . . . . 0.0 112.538 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.59 172.89 13.03 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 119.1 1.45 . . . . 0.0 108.284 164.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 m -72.27 143.73 48.65 Favored 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 124.273 1.029 . . . . 0.0 109.556 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.461 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 40.9 ttm -58.05 -23.74 55.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.834 0.826 . . . . 0.0 110.993 170.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -89.76 -17.39 28.32 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.531 1.132 . . . . 0.0 113.534 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 p -77.84 2.59 16.75 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.488 1.495 . . . . 0.0 111.031 162.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 123.45 14.89 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.314 -0.867 . . . . 0.0 110.666 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.71 164.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 108.559 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.0 mt -67.72 127.63 33.5 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.4 tp -50.75 -37.53 42.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.745 1.218 . . . . 0.0 111.538 173.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -15.5 61.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.174 -0.954 . . . . 0.0 110.919 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.2 -33.49 14.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.059 -1.026 . . . . 0.0 112.32 169.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.52 -42.42 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.789 1.177 . . . . 0.0 110.146 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.31 -33.06 67.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.687 1.595 . . . . 0.0 113.782 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -85.49 -37.08 20.11 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.123 0.874 . . . . 0.0 110.887 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.59 -52.35 63.75 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 124.763 1.225 . . . . 0.0 109.713 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 172.81 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.239 0.541 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -101.2 98.83 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.501 1.52 . . . . 0.0 109.968 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -89.8 -26.93 20.32 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.927 -164.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.71 -34.74 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.986 0.812 . . . . 0.0 110.864 -168.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -66.23 160.93 23.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.693 0.678 . . . . 0.0 109.231 169.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.16 98.05 8.79 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.36 6.1 5.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -124.82 144.71 50.14 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.71 0.804 . . . . 0.0 110.075 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.0 mt -122.11 158.98 28.1 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 127.434 2.293 . . . . 0.0 107.37 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -147.57 158.9 44.2 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.62 122.55 44.63 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.445 0.698 . . . . 0.0 109.51 171.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 165.72 42.11 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.21 -29.47 46.64 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 124.481 3.454 . . . . 0.0 113.232 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -64.32 -13.57 50.92 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.353 1.061 . . . . 0.0 111.564 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.5 -10.82 67.0 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 126.496 1.998 . . . . 0.0 112.711 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.94 128.3 35.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.11 125.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 153.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -110.35 162.67 14.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.974 0.91 . . . . 0.0 110.975 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.86 -147.44 16.32 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.415 170.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.7 167.99 72.19 Favored 'Cis proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.597 -1.001 . . . . 0.0 112.68 1.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.53 161.26 35.07 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.943 1.697 . . . . 0.0 108.553 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -82.25 155.73 24.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.855 0.862 . . . . 0.0 110.074 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 mt -56.92 -41.87 78.95 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.958 171.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -60.76 -45.55 93.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.021 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.31 -52.27 65.99 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.439 1.018 . . . . 0.0 110.498 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.67 -37.94 71.52 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.066 0.394 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -67.18 -62.16 1.57 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.237 1.015 . . . . 0.0 109.752 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.65 -18.65 62.71 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -173.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -76.82 -50.89 12.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.317 1.047 . . . . 0.0 110.939 168.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -58.47 -40.78 83.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.509 1.049 . . . . 0.0 110.624 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -72.0 -7.31 47.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.111 1.764 . . . . 0.0 112.194 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.93 7.4 16.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.576 1.55 . . . . 0.0 111.639 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.255 61.7 mm-40 60.77 50.85 5.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.849 2.06 . . . . 0.0 114.194 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.07 -12.08 55.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 165.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -126.55 -157.2 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.714 1.143 . . . . 0.0 109.714 -170.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.3 p -137.18 166.61 23.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.791 1.236 . . . . 0.0 109.446 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.64 96.46 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.221 -0.924 . . . . 0.0 110.994 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.21 16.93 0.68 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.099 1.36 . . . . 0.0 112.808 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -72.6 107.82 5.3 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 119.938 -1.726 . . . . 0.0 109.369 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -90.32 159.89 16.41 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.676 -1.265 . . . . 0.0 110.33 168.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 m -140.07 155.68 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.613 1.965 . . . . 0.0 108.129 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -137.59 165.6 25.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.661 0.664 . . . . 0.0 110.04 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.4 mtt -81.24 156.82 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.425 0.631 . . . . 0.0 112.633 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -60.53 118.12 6.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.744 0.818 . . . . 0.0 109.979 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.41 4.32 90.0 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.839 -1.534 . . . . 0.0 113.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.23 166.79 11.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.342 1.571 . . . . 0.0 108.892 164.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.82 151.32 30.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.443 1.897 . . . . 0.0 109.956 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -68.02 -33.03 73.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.39 0.676 . . . . 0.0 111.018 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.44 -14.14 62.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.802 0.841 . . . . 0.0 111.862 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 13.23 26.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.008 1.323 . . . . 0.0 110.523 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.5 160.87 12.85 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.043 0.925 . . . . 0.0 110.525 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.95 155.67 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 127.199 2.199 . . . . 0.0 107.064 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.02 131.13 43.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.63 -31.81 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.117 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.2 p -63.75 -33.98 76.86 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.339 0.972 . . . . 0.0 111.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -51.63 26.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.24 -42.32 65.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.189 0.996 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mp -55.06 -51.89 64.92 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.744 1.217 . . . . 0.0 111.268 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -69.25 -21.76 63.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.583 -0.698 . . . . 0.0 112.736 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -81.16 -8.46 59.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.526 1.13 . . . . 0.0 112.537 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 120.086 1.312 . . . . 0.0 110.729 -175.053 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.237 0.43 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.24 99.93 1.61 Allowed 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.051 0.844 . . . . 0.0 109.463 -174.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.27 -31.69 12.29 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -171.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.03 -2.38 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.989 1.316 . . . . 0.0 112.168 -164.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.8 145.43 49.06 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 96.3 0.31 Allowed 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 125.086 1.354 . . . . 0.0 110.218 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.51 1.85 2.65 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -169.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -129.75 127.76 41.06 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.569 0.748 . . . . 0.0 110.203 -171.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.2 mt -104.47 158.33 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 127.46 2.304 . . . . 0.0 108.736 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 16.1 p90 -149.12 167.41 25.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.575 -0.726 . . . . 0.0 109.431 173.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -108.9 114.33 28.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.941 1.297 . . . . 0.0 111.172 171.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.37 165.89 49.31 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.86 -4.23 15.09 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 124.415 3.41 . . . . 0.0 112.113 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.97 -23.65 67.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 164.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.29 30.6 58.46 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -170.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.6 166.44 10.42 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.773 1.229 . . . . 0.0 107.914 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -117.12 92.62 2.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -67.88 176.42 2.57 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.595 0.712 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.62 -160.29 28.87 Favored Glycine 0 CA--C 1.524 0.631 0 O-C-N 121.562 -0.711 . . . . 0.0 112.877 166.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.95 170.37 70.88 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 CA-C-N 117.94 0.87 . . . . 0.0 112.998 9.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -135.08 151.93 51.2 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.683 1.593 . . . . 0.0 109.882 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 144.59 39.9 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.928 0.891 . . . . 0.0 108.693 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.1 -33.53 69.2 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.582 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -70.77 -34.14 71.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.965 0.802 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.14 -49.16 65.78 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -58.19 -41.06 83.09 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.288 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -60.19 -49.63 76.87 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.872 174.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.97 76.81 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.955 0.798 . . . . 0.0 111.419 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -70.29 -38.59 75.05 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.006 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -47.23 80.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.068 0.947 . . . . 0.0 110.176 170.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.33 -17.59 64.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.008 1.723 . . . . 0.0 111.773 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.56 12.03 35.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.436 1.895 . . . . 0.0 110.916 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 61.22 23.29 13.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.283 2.233 . . . . 0.0 112.903 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -75.37 -0.81 21.13 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.21 155.69 49.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.759 1.163 . . . . 0.0 108.704 -168.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.6 p -79.51 151.33 30.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.828 -162.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -65.48 -3.91 5.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -170.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -140.12 70.69 1.36 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.514 1.926 . . . . 0.0 108.046 157.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.91 117.36 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.21 1.404 . . . . 0.0 109.343 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -95.03 155.69 16.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 120.067 1.303 . . . . 0.0 110.957 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.19 156.17 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 126.074 1.75 . . . . 0.0 108.603 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.458 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 16.3 p90 -129.68 159.01 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mtt -71.61 166.05 22.66 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.2 0.524 . . . . 0.0 110.117 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -61.31 146.63 47.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.345 0.593 . . . . 0.0 110.244 172.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.18 -36.22 1.1 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.557 1.551 . . . . 0.0 114.33 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.99 161.98 6.11 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.812 1.306 . . . . 0.0 111.158 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -86.31 160.6 19.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.773 0.797 . . . . 0.0 109.562 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.458 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 2.1 ttm -73.61 -25.65 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.692 0.797 . . . . 0.0 111.628 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.14 -8.57 32.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.239 0.616 . . . . 0.0 112.048 164.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 12.32 33.14 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.647 1.979 . . . . 0.0 110.643 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.0 166.7 17.47 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.749 -1.219 . . . . 0.0 111.707 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.96 162.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 126.918 2.087 . . . . 0.0 108.175 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.8 mt -73.62 123.9 24.9 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -50.39 -32.88 18.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.996 0.918 . . . . 0.0 111.038 173.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.9 p -71.93 -27.97 63.16 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.759 1.163 . . . . 0.0 112.223 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -47.28 60.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.1 t -62.13 -31.54 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.36 -43.77 79.47 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.688 1.595 . . . . 0.0 111.168 174.134 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -54.46 16.0 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 124.432 1.093 . . . . 0.0 109.868 173.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.52 74.04 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.044 0.537 . . . . 0.0 111.927 -166.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.235 0.336 0 C-N-CA 124.465 1.106 . . . . 0.0 110.907 -169.91 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.95 147.38 50.66 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 167.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -128.41 5.66 5.73 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -113.96 -52.12 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.447 0.699 . . . . 0.0 110.294 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -62.78 158.52 18.53 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.768 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.5 mt -91.3 109.22 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.72 -2.27 1.75 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.169 -0.92 . . . . 0.0 113.27 -168.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -125.56 126.7 45.23 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.084 0.954 . . . . 0.0 110.618 -173.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.59 160.26 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.408 1.883 . . . . 0.0 108.435 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -145.02 150.51 37.0 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.669 0.271 . . . . 0.0 110.384 166.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -90.44 117.22 28.97 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 170.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -73.77 174.03 5.46 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.263 0.625 . . . . 0.0 110.17 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.72 -7.44 16.62 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.809 1.673 . . . . 0.0 112.93 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.21 -4.44 58.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.822 1.649 . . . . 0.0 110.127 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.47 14.71 81.86 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.281 0.943 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.53 142.88 27.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.54 129.27 37.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 161.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -106.66 162.45 13.75 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.25 -172.02 21.01 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.402 0.525 . . . . 0.0 112.597 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.22 168.87 68.62 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.016 -1.243 . . . . 0.0 113.148 18.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.77 164.38 27.67 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 127.543 2.337 . . . . 0.0 109.271 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -81.96 155.14 25.38 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 123.638 0.586 . . . . 0.0 110.462 170.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.06 -33.47 75.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.581 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -63.56 -45.83 88.68 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.195 0.907 . . . . 0.0 109.519 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -64.48 -44.24 91.63 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.29 0.95 . . . . 0.0 111.722 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.9 -40.9 90.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.914 0.779 . . . . 0.0 111.301 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -60.32 -59.97 4.57 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.57 1.148 . . . . 0.0 110.003 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.11 65.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.704 0.801 . . . . 0.0 112.045 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.1 -40.88 59.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.111 -0.947 . . . . 0.0 112.372 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.48 -39.75 94.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.422 1.01 . . . . 0.0 109.578 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.71 -50.58 72.72 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.517 1.527 . . . . 0.0 108.631 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.46 15.23 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.604 1.962 . . . . 0.0 114.831 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 65.69 12.98 8.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.221 1.808 . . . . 0.0 114.715 172.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.3 -9.79 58.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -121.53 -173.47 2.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.702 1.137 . . . . 0.0 111.032 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -129.24 168.46 16.17 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.416 0.687 . . . . 0.0 110.147 -167.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -63.5 -26.88 68.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.783 0.802 . . . . 0.0 112.06 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -108.87 28.78 8.1 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.206 1.002 . . . . 0.0 110.199 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -79.34 139.55 37.76 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -132.89 158.36 42.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.025 1.33 . . . . 0.0 110.384 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.82 158.16 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.521 0.729 . . . . 0.0 110.08 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.459 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 9.7 p90 -136.46 155.41 50.03 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.648 1.579 . . . . 0.0 108.092 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.6 mtm -78.94 164.82 24.1 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.508 0.595 . . . . 0.0 111.213 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -58.83 149.96 25.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.69 -21.71 1.2 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-O 117.842 -1.532 . . . . 0.0 115.427 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -75.87 174.37 9.98 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 120.791 2.296 . . . . 0.0 110.145 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.92 144.33 33.47 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.308 1.043 . . . . 0.0 109.715 168.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.459 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 44.6 ttm -61.1 -40.14 92.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.763 0.425 . . . . 0.0 110.116 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -74.61 -12.79 60.54 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.468 -0.77 . . . . 0.0 111.559 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.0 -2.51 30.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.94 166.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 144.84 37.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.811 0.732 . . . . 0.0 110.346 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 m -110.84 164.82 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.796 2.038 . . . . 0.0 108.793 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.22 133.25 50.24 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 120.129 -1.607 . . . . 0.0 109.3 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.17 -28.28 66.46 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.057 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.7 p -67.31 -39.54 85.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 119.597 1.089 . . . . 0.0 112.15 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.2 -49.62 76.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.25 -40.72 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 123.08 0.552 . . . . 0.0 110.598 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -16.37 62.46 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.706 -1.246 . . . . 0.0 113.824 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -87.72 -49.97 6.79 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.915 0.886 . . . . 0.0 109.824 167.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.35 -25.85 66.16 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.478 1.111 . . . . 0.0 111.37 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.237 0.423 0 C-N-CA 125.236 1.414 . . . . 0.0 109.228 174.77 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 105.26 10.24 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -70.29 -31.31 68.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.329 -1.349 . . . . 0.0 112.189 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.88 -35.85 23.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.986 0.812 . . . . 0.0 109.672 -165.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -72.81 141.62 48.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.58 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.58 106.22 12.43 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -140.58 4.53 1.96 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -118.23 119.23 34.06 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 123.433 0.693 . . . . 0.0 109.875 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.31 156.64 18.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 127.354 2.261 . . . . 0.0 108.419 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 17.4 p90 -153.63 165.65 35.27 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 167.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -107.7 113.98 27.63 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.857 0.863 . . . . 0.0 108.723 168.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.65 173.7 0.96 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.955 1.302 . . . . 0.0 108.533 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.92 39.02 0.76 Allowed 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.617 3.545 . . . . 0.0 110.401 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -125.25 -15.73 6.16 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.268 2.227 . . . . 0.0 110.757 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.34 -1.54 76.7 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.371 1.939 . . . . 0.0 114.945 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.51 143.14 29.25 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.627 2.371 . . . . 0.0 110.022 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.84 97.36 3.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -74.29 157.7 35.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.7 -175.88 16.77 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 122.041 -0.412 . . . . 0.0 113.882 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.61 170.87 59.43 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.855 -0.894 . . . . 0.0 112.951 8.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.97 165.51 25.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.589 1.955 . . . . 0.0 110.09 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -80.49 152.73 28.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.705 1.202 . . . . 0.0 109.378 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.14 -32.53 74.26 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.477 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.7 m -60.13 -53.67 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.543 0.61 . . . . 0.0 109.801 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.98 -48.8 80.27 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.691 0.678 . . . . 0.0 109.676 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.62 -44.33 85.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.497 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -62.68 -53.61 51.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.683 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.5 68.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.783 0.72 . . . . 0.0 111.852 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -73.22 -43.21 61.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.464 0.705 . . . . 0.0 111.097 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.45 99.14 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.702 0.683 . . . . 0.0 110.622 174.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.03 -30.39 59.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.721 2.008 . . . . 0.0 110.58 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.6 7.55 45.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.801 1.641 . . . . 0.0 112.527 -175.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 62.97 21.01 12.64 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.072 1.749 . . . . 0.0 112.791 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -75.46 -3.52 34.39 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.004 -1.06 . . . . 0.0 112.644 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.53 171.65 10.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 119.561 1.073 . . . . 0.0 110.115 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -101.91 155.37 18.2 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.067 -165.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -61.1 -9.13 4.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.616 1.566 . . . . 0.0 112.694 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.62 34.12 4.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.663 1.585 . . . . 0.0 111.139 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.72 142.56 48.19 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.232 -0.917 . . . . 0.0 110.5 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HG3' ' HA ' ' A' ' 65' ' ' LEU . 3.6 mpt_? -130.06 159.89 35.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 111.752 172.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.33 149.73 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 125.43 1.492 . . . . 0.0 107.807 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 20.0 p90 -127.01 157.1 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 172.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.8 mtm -78.63 169.66 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 110.173 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -62.19 154.2 28.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.337 0.589 . . . . 0.0 111.018 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.76 -24.15 0.4 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.084 1.802 . . . . 0.0 114.275 -176.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.28 173.38 10.28 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 119.055 1.427 . . . . 0.0 111.946 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.7 149.46 25.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.241 1.817 . . . . 0.0 110.311 172.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.443 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 1.6 ttp -64.04 -25.2 68.01 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.651 170.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.84 -8.57 56.15 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.827 -1.17 . . . . 0.0 111.61 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.55 27.8 8.46 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.917 2.087 . . . . 0.0 108.292 173.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.26 131.64 37.31 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.174 1.39 . . . . 0.0 110.604 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.17 161.0 3.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 125.644 1.578 . . . . 0.0 109.877 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 18.8 mt -62.09 125.12 22.76 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.7 tp -51.32 -36.0 40.65 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.907 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -18.1 61.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.844 1.258 . . . . 0.0 112.462 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -79.19 -54.85 5.57 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.402 1.481 . . . . 0.0 107.564 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.6 t -52.26 -40.18 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.251 1.421 . . . . 0.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -44.31 63.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.264 1.425 . . . . 0.0 112.242 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -71.59 -45.98 60.62 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.985 0.914 . . . . 0.0 110.364 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.9 mt -53.93 -50.06 67.28 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.521 0.729 . . . . 0.0 110.507 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.237 0.409 0 C-N-CA 125.038 1.335 . . . . 0.0 111.111 178.134 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.236 0.346 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.92 120.91 21.1 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.873 0.844 . . . . 0.0 110.996 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.03 -27.34 18.69 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.519 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.66 25.98 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.152 0.981 . . . . 0.0 110.285 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 148.32 51.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.526 -1.359 . . . . 0.0 107.41 166.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.11 95.18 4.84 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -137.94 10.12 2.83 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.385 0.674 . . . . 0.0 112.771 -168.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -135.28 155.25 50.93 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.606 1.162 . . . . 0.0 109.288 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.8 mt -131.33 162.45 30.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 127.417 2.287 . . . . 0.0 108.096 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 p90 -149.36 161.89 41.17 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 165.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.51 44.22 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -76.05 168.4 28.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 122.847 0.459 . . . . 0.0 110.097 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.6 -11.07 15.71 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.259 1.973 . . . . 0.0 112.49 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.11 -35.93 74.48 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.007 0.923 . . . . 0.0 109.698 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.38 7.11 3.63 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.503 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.08 133.5 51.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.142 1.377 . . . . 0.0 108.395 -167.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.33 109.11 6.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -86.8 165.16 16.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.351 0.596 . . . . 0.0 109.621 175.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.32 -148.74 18.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.902 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.5 172.09 36.39 Favored 'Cis proline' 0 N--CA 1.453 -0.874 0 C-N-CA 124.144 -1.19 . . . . 0.0 112.648 -2.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -137.4 157.23 47.04 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 125.801 1.641 . . . . 0.0 109.845 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.08 148.78 25.55 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.12 1.768 . . . . 0.0 110.605 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.29 -27.12 67.68 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 118.826 -1.15 . . . . 0.0 110.468 -172.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -64.72 -41.32 96.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.76 0.709 . . . . 0.0 110.181 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -66.09 -53.21 40.91 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.01 -44.54 82.91 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.085 0.402 . . . . 0.0 111.573 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -61.39 -52.68 63.58 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.222 0.609 . . . . 0.0 109.835 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.1 -22.85 67.01 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -83.68 -28.87 28.04 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.942 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -62.92 -44.65 95.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.421 1.009 . . . . 0.0 108.444 166.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.99 -19.49 65.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.591 2.356 . . . . 0.0 111.877 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.86 7.31 28.07 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.918 1.687 . . . . 0.0 111.173 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.84 15.36 5.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.672 1.589 . . . . 0.0 114.975 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -67.98 11.45 0.15 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.854 1.662 . . . . 0.0 112.96 166.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -139.74 158.56 43.91 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.444 1.897 . . . . 0.0 108.333 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -80.74 167.97 19.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 110.177 -176.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -71.67 -31.73 67.1 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.173 -0.955 . . . . 0.0 112.083 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -106.69 39.6 1.81 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.251 1.42 . . . . 0.0 111.372 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -78.2 142.03 38.22 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 120.895 -1.128 . . . . 0.0 111.345 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.46 157.73 31.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.557 -0.714 . . . . 0.0 112.751 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.61 160.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 127.317 2.247 . . . . 0.0 108.793 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.527 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 32.4 p90 -140.51 160.22 40.48 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.718 0.807 . . . . 0.0 108.934 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.8 mtt -71.02 158.22 36.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.499 0.72 . . . . 0.0 111.28 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 p -57.81 138.61 55.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.918 -0.489 . . . . 0.0 110.278 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.83 -31.42 2.78 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 117.772 -1.571 . . . . 0.0 112.929 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.73 168.34 19.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.947 1.874 . . . . 0.0 112.069 -170.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -73.67 126.19 29.76 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 125.365 1.466 . . . . 0.0 110.527 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 20.0 ttm -53.13 -37.51 61.86 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.675 0.79 . . . . 0.0 110.634 163.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.0 -9.15 35.73 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.42 19.57 14.66 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.559 1.072 . . . . 0.0 110.447 172.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.09 160.11 2.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.292 1.437 . . . . 0.0 110.866 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 m -128.01 159.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.867 1.267 . . . . 0.0 109.157 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.15 119.88 9.81 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 tp -48.95 -36.51 17.62 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.943 0.777 . . . . 0.0 110.164 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 p -68.48 -23.6 64.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.845 0.858 . . . . 0.0 112.141 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -29.56 21.7 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.307 -0.871 . . . . 0.0 110.43 171.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.81 -36.08 68.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 O-C-N 120.744 -1.223 . . . . 0.0 109.368 168.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.9 -25.77 68.47 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.216 1.406 . . . . 0.0 113.804 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -81.2 -40.91 23.13 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.348 1.059 . . . . 0.0 110.163 171.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.12 -34.64 78.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.774 0.83 . . . . 0.0 110.214 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 170.616 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.86 138.95 55.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 167.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -133.21 -27.55 1.59 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.634 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.93 -24.99 20.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.96 0.904 . . . . 0.0 111.582 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -88.02 158.13 18.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.11 96.37 9.42 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -134.88 -6.58 2.41 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.73 116.68 31.14 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.11 0.868 . . . . 0.0 110.351 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.6 mt -90.46 155.29 19.02 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -147.36 148.49 31.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.501 0.72 . . . . 0.0 109.257 168.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HE2' ' CE ' ' A' ' 60' ' ' MET . 1.3 tttm -89.32 128.98 35.93 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 171.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 23.7 p30 -81.5 -179.81 1.62 Allowed Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.908 0.883 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 88.6 Cg_endo -80.4 -11.68 13.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.039 1.826 . . . . 0.0 112.986 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.34 -29.52 63.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.83 0.741 . . . . 0.0 109.026 170.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.58 12.46 30.53 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.038 1.78 . . . . 0.0 111.682 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.36 142.73 27.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.135 1.967 . . . . 0.0 107.997 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -74.73 104.35 3.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -90.94 155.16 18.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.689 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.69 -160.02 14.18 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 123.785 0.707 . . . . 0.0 112.412 165.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.73 171.3 68.8 Favored 'Cis proline' 0 N--CA 1.461 -0.436 0 CA-C-N 118.228 1.014 . . . . 0.0 112.668 8.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -138.03 161.82 35.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.368 1.867 . . . . 0.0 110.598 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.05 145.78 46.32 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.917 1.287 . . . . 0.0 108.83 166.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.94 -35.87 71.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -64.43 -37.9 89.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.694 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -63.97 -47.95 78.39 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.561 1.073 . . . . 0.0 110.012 173.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.03 -42.51 85.5 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.083 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -57.32 -51.91 67.49 Favored 'General case' 0 C--O 1.227 -0.081 0 CA-C-O 117.554 -1.212 . . . . 0.0 109.833 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.45 85.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.438 1.017 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.339 0.518 . . . . 0.0 111.185 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -60.64 -43.51 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.155 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.26 -40.08 82.02 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.296 1.838 . . . . 0.0 111.53 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.61 9.03 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.074 1.749 . . . . 0.0 111.487 171.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 58.28 27.39 15.17 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.743 2.017 . . . . 0.0 114.649 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -61.76 -7.12 3.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.203 1.401 . . . . 0.0 113.008 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -131.6 173.52 11.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 126.276 1.83 . . . . 0.0 109.066 -160.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -95.18 166.76 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.442 1.097 . . . . 0.0 108.639 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 7.1 42.81 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 120.81 -1.181 . . . . 0.0 111.809 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -141.37 70.26 1.34 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 155.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -86.68 140.43 29.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.881 0.872 . . . . 0.0 109.307 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.58 160.65 30.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.436 0.695 . . . . 0.0 112.084 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.95 153.8 15.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 126.244 1.818 . . . . 0.0 109.077 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -148.82 157.48 43.47 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.536 0.734 . . . . 0.0 110.925 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 mtt -72.7 162.52 29.38 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 123.185 1.469 . . . . 0.0 112.228 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.2 p -59.48 127.24 31.09 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.942 -1.027 . . . . 0.0 108.963 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -17.77 41.42 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.773 -1.015 . . . . 0.0 113.037 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -66.99 164.89 16.72 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.304 1.552 . . . . 0.0 110.345 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 145.24 37.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.441 ' CE ' ' HE2' ' A' ' 23' ' ' LYS . 47.0 ttm -58.85 -31.44 68.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 167.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.55 -8.5 57.91 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.633 -0.667 . . . . 0.0 112.67 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.8 m -92.46 8.16 39.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.402 1.001 . . . . 0.0 111.607 163.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 164.41 11.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 119.583 1.083 . . . . 0.0 111.216 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.29 161.14 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.836 1.254 . . . . 0.0 109.854 -176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 124.17 23.0 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -52.71 -31.67 38.91 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.832 0.708 . . . . 0.0 111.34 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.24 -41.23 98.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.891 0.853 . . . . 0.0 110.802 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -36.8 72.02 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 121.66 -0.65 . . . . 0.0 109.695 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.4 t -69.81 -31.32 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 124.085 0.954 . . . . 0.0 110.609 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -50.27 74.23 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.684 1.193 . . . . 0.0 109.726 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.42 -47.12 86.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.752 0.821 . . . . 0.0 111.455 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.78 -41.94 95.47 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.472 0.709 . . . . 0.0 111.492 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 CA--C 1.538 0.513 0 O-C-N 121.542 -0.724 . . . . 0.0 110.502 173.402 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 C--O 1.234 0.254 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.64 123.8 27.12 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -95.55 -15.56 22.76 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 116.86 -1.543 . . . . 0.0 112.566 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.8 -50.47 3.84 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 120.332 1.424 . . . . 0.0 111.189 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 161.56 30.85 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.079 0.854 . . . . 0.0 110.892 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -84.17 102.2 12.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -132.31 0.48 3.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -122.64 119.56 31.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.824 0.738 . . . . 0.0 109.72 -171.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.6 mt -93.67 164.45 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 126.745 2.018 . . . . 0.0 109.598 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.68 161.53 42.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.453 0.701 . . . . 0.0 109.754 163.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -101.72 139.32 37.53 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.806 1.242 . . . . 0.0 109.91 165.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 0.9 OUTLIER -109.47 174.52 2.36 Favored Pre-proline 0 C--O 1.24 0.574 0 C-N-CA 123.844 0.858 . . . . 0.0 109.715 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 56.4 Cg_endo -80.24 45.02 1.85 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 125.184 3.923 . . . . 0.0 110.09 175.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -124.25 -18.68 5.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 129.729 3.212 . . . . 0.0 108.989 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.67 13.55 80.31 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 124.149 0.881 . . . . 0.0 112.532 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.56 149.21 21.78 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 163.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -78.95 141.68 15.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 159.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -118.59 166.64 12.47 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.749 0.785 . . . . 0.0 110.476 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.27 -163.51 37.59 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.114 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.76 168.45 76.17 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.854 -1.311 . . . . 0.0 114.609 21.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.32 160.82 37.2 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.89 2.076 . . . . 0.0 109.087 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.2 p -92.41 155.72 17.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.96 0.904 . . . . 0.0 110.935 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.67 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.7 m -62.99 -48.15 80.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.001 0.818 . . . . 0.0 109.393 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.02 -50.45 73.69 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 122.512 0.325 . . . . 0.0 110.134 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.6 mt -63.52 -42.46 98.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.691 0.397 . . . . 0.0 111.438 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -54.32 -52.69 60.74 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.206 1.002 . . . . 0.0 110.36 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.43 78.37 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.528 0.731 . . . . 0.0 112.723 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -77.25 -34.24 55.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.987 0.915 . . . . 0.0 111.655 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -59.47 -46.02 89.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -48.13 79.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.419 1.088 . . . . 0.0 110.804 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.86 11.83 0.34 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.249 1.82 . . . . 0.0 114.027 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 51.97 37.21 20.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.149 1.779 . . . . 0.0 112.206 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.39 -36.56 66.05 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.827 -1.171 . . . . 0.0 110.109 162.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -110.33 -171.13 1.77 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.779 0.831 . . . . 0.0 111.233 -167.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -134.42 165.18 25.76 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.763 0.825 . . . . 0.0 109.587 -169.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -62.55 -8.24 6.03 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.549 1.94 . . . . 0.0 113.394 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -126.23 24.14 6.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.617 1.567 . . . . 0.0 109.538 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -82.98 142.33 31.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.799 1.24 . . . . 0.0 108.719 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.14 160.06 35.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 111.764 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -140.39 150.03 21.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 110.653 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.453 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 31.9 p90 -131.44 159.26 38.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.606 1.163 . . . . 0.0 110.238 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.0 mtt -77.28 157.78 30.57 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.142 0.496 . . . . 0.0 110.691 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.7 p -61.19 119.24 8.02 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.55 -0.719 . . . . 0.0 111.714 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.41 -10.3 75.15 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.313 0.959 . . . . 0.0 112.792 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.8 165.15 23.04 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 118.502 1.151 . . . . 0.0 108.82 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -83.57 152.21 24.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.404 0.621 . . . . 0.0 109.632 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 22.5 ttm -60.89 -28.44 68.89 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.088 1.355 . . . . 0.0 112.31 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -29.84 70.44 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.255 -1.528 . . . . 0.0 110.428 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -75.51 2.18 12.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.417 1.487 . . . . 0.0 111.332 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 147.54 53.23 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 120.5 -1.375 . . . . 0.0 110.453 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.03 161.84 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.858 1.263 . . . . 0.0 108.724 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.9 120.71 10.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 108.316 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.25 -31.24 53.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.08 0.552 . . . . 0.0 110.361 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 p -67.22 -23.33 65.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.998 0.919 . . . . 0.0 111.998 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.98 -37.67 16.18 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 173.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.76 -30.68 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.204 0.911 . . . . 0.0 111.011 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -47.63 85.11 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 120.903 -1.123 . . . . 0.0 110.832 170.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -60.94 -46.83 89.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.872 -1.142 . . . . 0.0 110.27 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.66 0.16 5.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.918 1.287 . . . . 0.0 112.917 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 169.103 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.65 123.32 47.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -101.73 9.36 41.01 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.574 0.75 . . . . 0.0 112.498 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.1 -72.46 0.67 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.32 144.12 57.22 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.315 0.578 . . . . 0.0 111.603 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.699 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.49 120.31 12.64 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 166.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -149.01 5.71 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -124.16 127.86 48.39 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.361 1.064 . . . . 0.0 108.917 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.01 159.93 14.8 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 127.601 2.36 . . . . 0.0 108.352 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -155.35 166.33 33.87 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.79 126.86 51.22 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.124 1.37 . . . . 0.0 108.407 169.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 169.34 16.45 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 118.66 0.664 . . . . 0.0 109.405 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.97 -24.51 19.43 Favored 'Trans proline' 0 C--N 1.349 0.584 1 C-N-CA 125.526 4.151 . . . . 0.0 114.158 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.98 -17.46 64.69 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.132 1.373 . . . . 0.0 112.128 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.97 -12.07 68.71 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.729 1.157 . . . . 0.0 112.475 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.55 134.52 43.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.659 1.229 . . . . 0.0 107.846 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.95 136.63 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 158.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.4 162.02 18.61 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.83 -165.15 13.29 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 163.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.13 171.14 69.6 Favored 'Cis proline' 0 CA--C 1.535 0.531 0 C-N-CA 124.996 -0.835 . . . . 0.0 114.234 12.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.95 167.69 20.47 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.334 1.854 . . . . 0.0 109.473 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -87.2 157.52 19.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.95 -36.26 74.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.615 -0.707 . . . . 0.0 111.152 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -65.23 -46.92 78.67 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.927 1.291 . . . . 0.0 111.219 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -62.47 -46.05 90.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.692 0.678 . . . . 0.0 109.551 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.16 -43.97 96.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.474 0.71 . . . . 0.0 110.479 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -56.31 -46.25 79.93 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.821 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.01 83.66 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.567 0.622 . . . . 0.0 111.619 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -59.14 -36.31 75.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.73 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 t -62.66 -45.73 91.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.598 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.9 -13.43 59.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.537 0.608 . . . . 0.0 111.878 -171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.54 47.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.697 1.599 . . . . 0.0 112.108 167.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 52.4 52.43 14.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.466 2.306 . . . . 0.0 113.423 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.97 11.48 6.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.208 1.403 . . . . 0.0 113.02 167.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -122.74 -161.92 0.98 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.249 1.42 . . . . 0.0 111.444 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 p -128.67 162.28 27.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.619 1.168 . . . . 0.0 109.535 -171.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -1.43 3.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -144.08 48.74 1.38 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.43 1.468 . . . . 0.0 108.225 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -84.17 136.15 34.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.513 0.673 . . . . 0.0 109.871 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 162.92 28.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.329 1.051 . . . . 0.0 111.271 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 150.18 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.424 1.49 . . . . 0.0 107.673 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.9 p90 -129.06 157.43 41.76 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.5 mtt -72.67 165.89 23.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 122.108 0.956 . . . . 0.0 110.691 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -59.1 155.72 13.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.488 0.661 . . . . 0.0 109.809 168.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.57 -26.18 0.48 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.458 1.028 . . . . 0.0 114.525 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.12 162.24 25.95 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.612 1.706 . . . . 0.0 112.202 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.2 t -73.0 155.51 39.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.111 0.964 . . . . 0.0 108.739 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.49 -33.57 69.94 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.354 0.662 . . . . 0.0 111.086 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -30.34 70.27 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.403 -0.811 . . . . 0.0 110.988 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -75.33 4.98 6.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.818 2.047 . . . . 0.0 112.339 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 149.55 48.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.771 -1.205 . . . . 0.0 110.175 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.53 160.18 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 125.406 1.482 . . . . 0.0 109.306 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.72 129.18 40.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.37 -32.43 62.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.934 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 p -67.1 -31.96 72.79 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.606 -0.684 . . . . 0.0 111.814 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.17 -47.55 42.87 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -42.74 73.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.459 1.104 . . . . 0.0 111.638 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -46.68 87.75 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.348 1.059 . . . . 0.0 111.485 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -51.67 69.03 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.377 1.071 . . . . 0.0 109.7 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.17 -32.16 73.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.614 0.643 . . . . 0.0 111.901 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.73 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.69 98.89 2.01 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 122.142 0.972 . . . . 0.0 110.6 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -93.18 -6.62 47.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 117.818 -1.086 . . . . 0.0 111.863 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -124.79 -15.86 6.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 120.448 1.476 . . . . 0.0 114.064 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -109.19 151.44 26.48 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.079 1.308 . . . . 0.0 109.005 171.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.652 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.86 99.4 4.47 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -131.56 -11.2 3.54 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -104.49 115.15 29.85 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.582 1.083 . . . . 0.0 109.791 -171.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.08 154.89 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.701 1.601 . . . . 0.0 107.496 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 21.1 p90 -140.54 160.9 39.0 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 165.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -101.08 148.71 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 162.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.0 OUTLIER -119.44 178.39 1.11 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.098 0.959 . . . . 0.0 109.146 -176.718 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 69.8 Cg_endo -71.43 -11.63 28.63 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.638 2.892 . . . . 0.0 111.563 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -64.57 -22.12 66.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.523 1.129 . . . . 0.0 110.482 168.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.48 -6.94 74.94 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 126.618 2.056 . . . . 0.0 112.81 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.29 140.26 43.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.748 1.274 . . . . 0.0 108.528 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.68 134.56 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 152.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -120.14 170.38 9.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.83 1.652 . . . . 0.0 109.03 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -161.32 31.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.17 170.86 70.4 Favored 'Cis proline' 0 N--CA 1.452 -0.914 0 CA-C-N 118.402 1.101 . . . . 0.0 112.568 15.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CE2' ' CE2' ' A' ' 22' ' ' TYR . 74.6 m-85 -140.05 160.43 39.94 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.459 1.903 . . . . 0.0 108.753 -172.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.4 p -86.34 153.59 21.84 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.006 0.432 . . . . 0.0 110.61 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.21 -24.59 67.95 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 m -76.46 -37.0 57.58 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.672 1.124 . . . . 0.0 110.728 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HB3' ' CH2' ' A' ' 41' ' ' TRP . 61.1 mt-30 -57.61 -49.98 74.64 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.89 -35.73 79.23 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.578 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.46 -53.6 55.57 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.467 1.03 . . . . 0.0 110.305 170.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.0 86.17 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.721 0.692 . . . . 0.0 111.348 -174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 37' ' ' GLN . 21.2 m0 -67.0 -41.17 87.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 122.54 0.336 . . . . 0.0 110.846 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.35 -38.02 89.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 110.903 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.06 -29.42 70.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 126.181 1.792 . . . . 0.0 111.125 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.16 11.34 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.828 1.651 . . . . 0.0 112.682 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 52.65 31.0 9.47 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.165 1.786 . . . . 0.0 113.88 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.27 -31.63 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.425 -0.797 . . . . 0.0 110.462 168.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CD1' ' CE2' ' A' ' 51' ' ' PHE . 18.5 m-85 -124.04 167.09 14.65 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.757 1.223 . . . . 0.0 110.188 -162.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 p -108.41 174.66 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.145 1.378 . . . . 0.0 110.108 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -68.35 -5.08 16.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.485 1.114 . . . . 0.0 113.776 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.93 31.17 5.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.043 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 47' ' ' PHE . 38.1 t80 -86.09 103.21 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.096 -1.002 . . . . 0.0 109.122 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.72 159.2 19.23 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 120.64 -1.287 . . . . 0.0 112.116 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.18 154.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 127.077 2.151 . . . . 0.0 108.305 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 25.1 p90 -141.85 156.06 45.54 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.838 0.855 . . . . 0.0 108.89 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.9 mtt -73.09 157.39 37.38 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.4 p -61.58 150.53 35.87 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.86 -27.74 4.77 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.947 -0.918 . . . . 0.0 112.149 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -94.26 169.69 10.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.439 1.62 . . . . 0.0 110.958 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 122.58 1.181 . . . . 0.0 110.423 -174.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 31.5 ttm -74.8 -34.02 62.33 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.951 1.3 . . . . 0.0 111.255 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.06 -38.77 90.04 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.549 -0.719 . . . . 0.0 110.362 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 t -72.9 -3.53 26.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.701 2.001 . . . . 0.0 112.49 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.74 144.01 55.34 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 120.186 1.357 . . . . 0.0 111.004 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.6 m -107.25 166.86 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 126.367 1.867 . . . . 0.0 108.779 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.75 133.63 38.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.57 -1.331 . . . . 0.0 109.173 -177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.26 -33.46 69.42 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.702 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -34.46 78.42 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.766 1.167 . . . . 0.0 111.757 178.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -53.3 19.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.908 0.883 . . . . 0.0 108.875 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.79 -27.15 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 122.592 0.357 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.11 87.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.709 1.204 . . . . 0.0 111.571 170.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -66.92 -46.66 74.12 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.358 173.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.13 -52.43 55.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.24 0.616 . . . . 0.0 110.549 -174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 CA--C 1.538 0.493 0 O-C-N 120.595 -1.315 . . . . 0.0 109.885 170.505 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -79.63 98.2 6.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -99.93 -18.05 17.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.235 -1.364 . . . . 0.0 112.84 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -120.25 12.27 11.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.197 1.362 . . . . 0.0 112.051 -173.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -127.71 151.39 49.03 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 165.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.29 93.21 1.46 Allowed 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 125.411 1.484 . . . . 0.0 109.4 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.67 3.53 4.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -128.27 121.42 29.27 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.871 0.76 . . . . 0.0 110.535 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.1 mt -90.86 159.78 16.07 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 127.855 2.462 . . . . 0.0 109.18 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 14.9 p90 -149.69 165.77 31.35 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.889 0.476 . . . . 0.0 110.507 165.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.58 120.59 42.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.024 1.329 . . . . 0.0 110.012 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.2 t0 -76.11 -178.9 1.0 Allowed Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.441 1.096 . . . . 0.0 108.745 173.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 16.7 Cg_endo -86.24 40.38 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.626 3.551 . . . . 0.0 109.771 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -120.12 -5.22 10.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.675 1.59 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 0.88 63.01 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.135 1.826 . . . . 0.0 113.709 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.41 128.27 34.66 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.122 1.769 . . . . 0.0 107.816 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.98 128.35 26.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 155.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -104.67 160.0 15.32 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.181 0.993 . . . . 0.0 108.636 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.61 -162.99 14.73 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 124.302 0.954 . . . . 0.0 112.127 168.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.96 167.76 77.66 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.777 -0.926 . . . . 0.0 113.184 10.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -134.61 155.02 51.21 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.808 2.043 . . . . 0.0 108.419 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 147.46 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 167.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.51 -31.74 69.65 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.982 -0.449 . . . . 0.0 110.86 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -59.47 -46.78 87.82 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.218 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.97 -42.75 89.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.958 0.503 . . . . 0.0 111.316 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -41.81 98.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 110.695 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -59.88 -46.28 89.82 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 118.713 0.688 . . . . 0.0 110.287 173.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.06 82.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.2 0.455 . . . . 0.0 111.7 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -67.96 -44.52 76.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.196 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -40.82 88.44 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 109.287 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -30.6 53.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.852 2.061 . . . . 0.0 111.868 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.3 2.67 39.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.638 1.975 . . . . 0.0 112.515 -172.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 71.45 20.06 4.99 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.567 2.347 . . . . 0.0 113.278 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -69.63 -2.99 13.14 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.632 -1.292 . . . . 0.0 113.753 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -131.93 -179.4 5.38 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.904 2.481 . . . . 0.0 108.938 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.6 p -105.51 164.28 12.01 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.653 1.581 . . . . 0.0 110.129 -172.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -70.13 7.57 0.95 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.676 1.19 . . . . 0.0 113.801 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.06 28.44 1.72 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.245 1.818 . . . . 0.0 109.864 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.65 143.62 34.49 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.923 -1.11 . . . . 0.0 111.12 -169.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -125.08 164.99 19.01 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.185 0.994 . . . . 0.0 112.76 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.69 157.16 29.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 126.31 1.844 . . . . 0.0 108.819 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.486 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 29.8 p90 -137.78 159.86 40.83 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 171.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.74 156.22 38.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.045 1.338 . . . . 0.0 111.006 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 p -54.13 102.46 0.06 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.582 1.153 . . . . 0.0 109.809 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.34 -5.7 59.06 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 117.29 -1.839 . . . . 0.0 114.382 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.41 168.17 19.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 120.231 2.015 . . . . 0.0 110.094 170.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.93 138.54 36.12 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 123.497 0.719 . . . . 0.0 109.653 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 29.8 ttm -58.59 -26.31 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.836 1.254 . . . . 0.0 113.586 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.62 -17.48 61.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 118.115 -0.945 . . . . 0.0 112.821 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 m -95.73 15.5 19.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.036 1.734 . . . . 0.0 111.555 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 131.42 46.26 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.87 -1.144 . . . . 0.0 110.583 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -96.6 160.77 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 124.275 1.03 . . . . 0.0 109.515 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 120.34 9.31 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 124.587 1.155 . . . . 0.0 108.144 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.5 tp -53.44 -33.72 55.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.385 171.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -32.53 71.65 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.684 0.674 . . . . 0.0 111.936 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.08 -47.32 71.6 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.376 -0.827 . . . . 0.0 109.101 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.24 -39.82 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.093 1.357 . . . . 0.0 110.578 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.15 -37.97 78.6 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.465 1.106 . . . . 0.0 112.082 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -65.28 -58.63 5.47 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.87 -48.46 79.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.329 0.652 . . . . 0.0 112.682 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 N--CA 1.444 -0.758 0 C-N-CA 125.083 1.353 . . . . 0.0 111.641 179.32 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -65.77 119.83 11.93 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -101.12 -15.49 17.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.276 -1.345 . . . . 0.0 112.358 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.52 -40.66 12.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.391 0.996 . . . . 0.0 109.722 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -85.27 157.15 20.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.593 0.558 . . . . 0.0 110.665 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.33 83.34 6.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -119.09 4.59 11.34 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -171.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -129.08 145.67 51.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.562 0.745 . . . . 0.0 109.754 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -124.58 156.48 37.34 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.018 2.127 . . . . 0.0 107.533 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -144.46 150.92 38.42 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 170.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -95.12 123.18 38.47 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.63 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 8.8 p30 -77.87 177.21 2.89 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.454 1.101 . . . . 0.0 110.848 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.7 Cg_endo -83.07 -0.73 10.11 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.036 2.491 . . . . 0.0 114.01 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -82.17 -36.1 27.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 119.563 1.074 . . . . 0.0 109.09 169.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.6 19.45 4.53 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.207 -1.329 . . . . 0.0 112.253 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.49 144.04 38.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 119.76 1.78 . . . . 0.0 108.292 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -83.76 111.85 20.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -87.78 166.57 14.51 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.9 -161.95 21.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 172.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.88 164.77 86.69 Favored 'Cis proline' 0 N--CA 1.455 -0.771 0 C-N-CA 124.507 -1.039 . . . . 0.0 113.14 10.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -132.58 159.87 38.26 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.192 1.397 . . . . 0.0 108.201 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -82.03 149.57 28.04 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.485 1.114 . . . . 0.0 109.618 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.33 -33.36 71.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.913 0.778 . . . . 0.0 110.43 175.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.2 m -62.19 -29.44 70.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.337 0.655 . . . . 0.0 111.934 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -80.24 -50.98 9.48 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 119.235 0.925 . . . . 0.0 109.221 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.77 -42.96 80.31 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.911 0.884 . . . . 0.0 110.319 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -57.34 -54.64 44.54 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.827 0.851 . . . . 0.0 111.053 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.78 79.25 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 123.423 0.452 . . . . 0.0 111.442 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.2 m0 -64.96 -44.32 89.77 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.754 0.822 . . . . 0.0 110.213 170.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t -63.48 -36.91 85.32 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.375 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.3 -50.51 73.72 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 119.288 0.949 . . . . 0.0 109.454 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.89 13.45 0.15 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.233 1.813 . . . . 0.0 113.724 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 70.27 4.96 5.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.862 2.465 . . . . 0.0 114.97 168.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.88 9.14 0.1 Allowed 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -172.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -126.5 178.9 5.59 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.609 1.564 . . . . 0.0 110.894 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.8 p -101.61 167.56 10.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.419 1.488 . . . . 0.0 110.43 -169.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -63.84 -24.63 67.83 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.752 -1.217 . . . . 0.0 112.31 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -129.75 57.93 1.66 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -82.27 115.19 21.23 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.029 0.932 . . . . 0.0 108.511 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -97.72 167.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 119.113 0.869 . . . . 0.0 111.399 169.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.12 157.06 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 126.204 1.802 . . . . 0.0 107.748 169.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.44 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 18.6 p90 -136.81 164.45 28.25 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.1 mtt -78.14 160.32 28.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.288 0.566 . . . . 0.0 110.438 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -61.35 144.49 53.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.409 0.684 . . . . 0.0 109.554 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.11 -9.78 17.74 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.957 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -89.85 176.37 6.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 119.246 1.523 . . . . 0.0 111.588 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.57 128.42 33.36 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.348 2.259 . . . . 0.0 109.223 175.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.555 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 38.2 ttm -56.66 -41.09 76.63 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.947 0.499 . . . . 0.0 110.507 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.1 -22.76 66.07 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.088 -1.008 . . . . 0.0 112.453 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -83.91 5.02 26.94 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.983 1.265 . . . . 0.0 112.491 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.28 148.66 11.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.426 1.012 . . . . 0.0 111.537 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.9 160.08 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 125.695 1.598 . . . . 0.0 109.537 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 123.63 20.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.966 1.307 . . . . 0.0 108.077 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 67.4 tp -53.29 -31.06 42.04 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.798 0.439 . . . . 0.0 112.116 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 p -72.28 -20.96 61.43 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.873 0.76 . . . . 0.0 111.287 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.8 -39.56 19.84 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.908 1.283 . . . . 0.0 108.784 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.95 -34.26 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.808 -0.558 . . . . 0.0 110.494 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -56.38 19.07 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.3 169.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -58.27 -40.9 83.06 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.414 1.086 . . . . 0.0 111.747 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.09 -43.93 97.14 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 111.281 179.286 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.504 0.669 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -72.21 99.31 2.33 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.989 1.716 . . . . 0.0 108.91 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -112.36 -17.57 12.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.121 -0.987 . . . . 0.0 113.028 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -115.27 1.16 13.72 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.742 1.217 . . . . 0.0 112.1 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 162.85 15.84 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 166.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -82.83 103.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -137.37 1.83 2.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -128.33 119.77 25.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 118.928 0.786 . . . . 0.0 110.663 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -90.85 156.74 17.79 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.136 2.174 . . . . 0.0 108.607 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -151.34 157.39 42.42 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 171.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -98.3 116.99 31.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.248 1.419 . . . . 0.0 108.778 169.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 175.79 4.4 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 164.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.47 -10.94 20.63 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.808 2.338 . . . . 0.0 113.461 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -27.42 68.88 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.668 1.122 . . . . 0.0 111.041 165.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.12 -0.74 66.82 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.61 -1.106 . . . . 0.0 112.954 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.27 135.31 55.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.903 1.352 . . . . 0.0 107.58 166.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.01 94.36 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 166.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -75.86 164.66 25.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.713 0.768 . . . . 0.0 109.092 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.49 -168.23 30.58 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.155 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.92 167.49 74.86 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 124.56 -1.017 . . . . 0.0 113.728 19.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.26 162.05 34.08 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.021 1.728 . . . . 0.0 109.784 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.32 144.87 32.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.195 0.998 . . . . 0.0 109.624 168.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.6 -29.47 70.72 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.583 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -65.01 -36.72 85.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.632 1.106 . . . . 0.0 109.745 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.6 -48.84 68.26 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.4 0.545 . . . . 0.0 110.578 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.14 -37.74 86.3 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.732 -0.605 . . . . 0.0 111.343 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -62.06 -48.7 79.05 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.464 1.105 . . . . 0.0 110.049 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.05 78.67 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.245 0.93 . . . . 0.0 111.038 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -75.91 -28.76 58.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.742 1.217 . . . . 0.0 112.06 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -65.12 -30.72 71.68 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.813 165.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.17 -13.31 59.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.806 1.243 . . . . 0.0 112.597 178.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.8 -2.08 20.31 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.227 1.811 . . . . 0.0 111.695 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 51.73 68.73 0.76 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.826 2.05 . . . . 0.0 112.056 -170.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -105.31 11.2 33.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.089 1.356 . . . . 0.0 111.038 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -143.07 155.43 44.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.478 1.511 . . . . 0.0 109.401 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -81.91 172.01 13.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.969 -163.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -17.68 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 170.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -142.19 48.6 1.57 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.501 1.046 . . . . 0.0 108.62 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -83.05 146.16 28.88 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.202 -0.936 . . . . 0.0 111.246 -168.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -127.18 158.77 36.2 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.695 0.798 . . . . 0.0 112.056 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.32 158.65 28.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 126.271 1.828 . . . . 0.0 108.266 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -137.46 160.23 39.7 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.317 0.647 . . . . 0.0 109.607 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.44 158.74 35.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.708 0.766 . . . . 0.0 110.943 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -49.45 121.48 5.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.196 0.999 . . . . 0.0 109.434 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.66 -23.87 28.61 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 125.05 1.309 . . . . 0.0 113.127 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.33 166.49 21.27 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 118.768 1.284 . . . . 0.0 112.721 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.51 145.86 50.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 165.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.6 ttm -57.9 -29.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.813 1.292 . . . . 0.0 110.848 170.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 126.302 1.841 . . . . 0.0 110.499 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.7 m -72.54 -3.44 24.56 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.005 0.922 . . . . 0.0 113.305 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 140.89 56.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.349 0.977 . . . . 0.0 110.962 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.69 163.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.556 1.942 . . . . 0.0 108.757 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.83 126.68 30.19 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.48 -37.36 25.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.688 170.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -26.53 66.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.4 0.68 . . . . 0.0 112.523 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.26 -39.05 23.53 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 109.637 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.69 -35.45 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 121.087 -1.008 . . . . 0.0 109.793 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -27.25 67.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.133 1.373 . . . . 0.0 112.294 169.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -61.48 1.96 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.238 0.926 . . . . 0.0 108.64 168.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.3 -27.58 68.58 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.944 1.297 . . . . 0.0 112.611 -164.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 125.04 1.336 . . . . 0.0 108.501 175.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.46 99.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.889 -169.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -89.13 -21.59 23.28 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.932 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -95.74 -53.55 3.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 119.913 1.233 . . . . 0.0 109.268 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.31 159.92 28.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.697 0.68 . . . . 0.0 111.357 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.756 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.97 109.24 5.67 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 171.874 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.06 6.75 1.57 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -128.11 120.66 27.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.179 0.991 . . . . 0.0 108.989 -174.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 mt -90.57 162.99 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 126.837 2.055 . . . . 0.0 108.854 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -148.37 162.85 38.72 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.749 -0.595 . . . . 0.0 110.004 165.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 5.0 ttmt -102.44 134.25 46.06 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.613 1.165 . . . . 0.0 108.082 169.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.37 174.25 4.59 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.012 0.925 . . . . 0.0 110.587 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.09 -7.22 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.903 2.402 . . . . 0.0 112.574 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.41 -13.5 46.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.437 1.495 . . . . 0.0 110.255 167.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.94 9.85 67.4 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 128.764 3.078 . . . . 0.0 113.381 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.22 137.8 43.29 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.93 145.12 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 160.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -129.98 159.8 35.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.019 1.328 . . . . 0.0 108.309 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.68 -158.79 20.32 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.707 167.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.7 170.0 72.73 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 CA-C-O 122.712 1.047 . . . . 0.0 113.319 9.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.09 165.29 25.4 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.586 1.954 . . . . 0.0 107.967 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -97.29 154.97 17.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.957 0.903 . . . . 0.0 110.865 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -25.22 66.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 118.956 -0.545 . . . . 0.0 112.36 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -66.91 -51.27 57.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.54 -48.65 76.83 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 123.621 0.769 . . . . 0.0 110.753 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.48 -40.93 96.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.303 -0.855 . . . . 0.0 111.456 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -60.0 -49.48 77.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.525 1.057 . . . . 0.0 109.729 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.52 78.38 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 123.686 0.616 . . . . 0.0 110.603 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -70.78 -31.64 68.49 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -62.72 -38.65 91.32 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.226 0.921 . . . . 0.0 109.269 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -79.25 -46.28 18.13 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.608 1.163 . . . . 0.0 110.475 -174.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.21 7.26 2.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.027 1.731 . . . . 0.0 113.18 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 55.18 44.23 28.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.879 2.072 . . . . 0.0 114.343 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -78.67 -13.34 59.87 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.304 -0.872 . . . . 0.0 112.144 164.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -116.87 -158.79 0.71 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.293 1.837 . . . . 0.0 108.543 -167.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.4 p -125.06 160.3 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.872 0.869 . . . . 0.0 109.447 -171.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -68.62 2.32 2.54 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -136.07 31.21 2.98 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.332 1.853 . . . . 0.0 108.386 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -79.08 102.77 8.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.237 -0.914 . . . . 0.0 108.68 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.57 165.94 15.81 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.232 -0.917 . . . . 0.0 109.695 168.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.01 154.83 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 127.116 2.166 . . . . 0.0 107.68 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -134.37 155.84 49.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.4 mtt -73.18 158.97 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.609 1.195 . . . . 0.0 111.215 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.21 101.26 0.28 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.858 1.663 . . . . 0.0 110.757 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.77 13.92 51.61 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.655 -1.081 . . . . 0.0 112.367 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.57 170.66 9.31 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 119.366 1.583 . . . . 0.0 109.698 163.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -75.18 144.17 42.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.523 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 55.8 ttm -62.51 -32.7 73.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.444 0.64 . . . . 0.0 110.708 169.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.01 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.785 -1.197 . . . . 0.0 110.705 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -81.17 10.25 5.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.098 0.863 . . . . 0.0 112.372 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 123.4 18.14 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.221 0.918 . . . . 0.0 110.366 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -96.05 164.3 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 124.88 1.272 . . . . 0.0 107.591 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.73 132.8 49.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 tp -55.3 -38.91 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 164.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -69.1 -23.34 64.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.683 0.674 . . . . 0.0 111.422 -178.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.93 -54.31 8.21 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.211 0.914 . . . . 0.0 108.826 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.04 -34.0 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.442 1.097 . . . . 0.0 111.193 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -27.24 63.2 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.032 1.733 . . . . 0.0 113.042 173.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -93.76 -39.11 10.93 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.636 1.574 . . . . 0.0 110.818 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.99 -52.3 65.6 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 119.235 0.925 . . . . 0.0 109.84 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 124.05 0.94 . . . . 0.0 108.778 170.422 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--O 1.237 0.418 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.83 124.93 30.77 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 168.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -92.55 -4.71 53.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.278 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -114.52 -48.55 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.421 1.488 . . . . 0.0 108.596 -171.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.36 143.09 57.37 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.283 1.401 . . . . 0.0 110.4 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.67 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -77.92 93.74 4.46 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.714 1.206 . . . . 0.0 108.072 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -131.5 0.27 4.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -168.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -125.83 130.84 52.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.754 0.822 . . . . 0.0 109.31 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -108.22 157.91 17.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 126.004 1.722 . . . . 0.0 108.624 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -140.52 154.64 46.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 163.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -93.25 128.29 39.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 166.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -82.4 167.95 26.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 O-C-N 123.103 0.252 . . . . 0.0 110.497 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.16 -16.09 43.88 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.131 2.554 . . . . 0.0 114.865 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.53 -19.33 62.91 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 119.876 1.216 . . . . 0.0 110.065 172.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 33.12 5.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 125.249 1.404 . . . . 0.0 111.068 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.01 137.94 54.62 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.711 1.605 . . . . 0.0 108.362 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.07 116.17 23.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 169.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -95.48 161.16 14.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.759 0.823 . . . . 0.0 109.136 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.02 -153.41 19.45 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.422 -0.655 . . . . 0.0 112.341 169.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.71 166.98 81.57 Favored 'Cis proline' 0 N--CA 1.457 -0.62 0 CA-C-N 118.645 1.222 . . . . 0.0 111.796 4.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 165.15 25.99 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 126.542 1.937 . . . . 0.0 109.085 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 p -80.69 161.4 24.63 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.18 -22.08 62.99 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.93 -1.106 . . . . 0.0 110.823 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -72.17 -39.71 68.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 109.513 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.1 -52.27 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.19 -45.08 94.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 112.222 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.65 91.49 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.03 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.02 83.13 Favored 'General case' 0 CA--C 1.526 0.058 0 CA-C-N 119.301 0.955 . . . . 0.0 111.506 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -67.7 -36.62 80.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.208 0.603 . . . . 0.0 112.218 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -69.83 -39.11 76.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.118 0.872 . . . . 0.0 109.999 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -57.97 -46.63 84.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.563 1.145 . . . . 0.0 107.917 173.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -3.21 12.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.096 1.759 . . . . 0.0 113.868 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 63.22 26.92 15.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.693 1.997 . . . . 0.0 113.488 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.35 -49.15 78.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 122.092 0.948 . . . . 0.0 108.918 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -92.59 172.19 8.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.029 1.332 . . . . 0.0 110.678 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.436 ' H ' ' HB2' ' A' ' 51' ' ' PHE . 73.0 p -112.45 167.11 10.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.609 0.719 . . . . 0.0 111.339 -157.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -65.72 -1.5 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.49 1.516 . . . . 0.0 113.383 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -143.52 40.1 1.43 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.161 1.346 . . . . 0.0 109.764 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.436 ' HB2' ' H ' ' A' ' 48' ' ' THR . 12.9 t80 -77.67 150.49 34.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -133.44 160.35 37.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.432 1.093 . . . . 0.0 112.434 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.69 157.88 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.724 1.61 . . . . 0.0 108.969 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.422 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 13.1 p90 -135.22 159.89 40.12 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.277 1.031 . . . . 0.0 108.716 173.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.0 mtt -75.06 156.55 36.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.435 0.636 . . . . 0.0 110.679 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -60.78 143.53 54.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.973 -0.455 . . . . 0.0 110.101 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.49 6.33 86.56 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.614 -1.103 . . . . 0.0 113.567 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -115.76 167.05 11.27 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.951 1.376 . . . . 0.0 109.004 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 148.82 33.72 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.299 1.439 . . . . 0.0 110.182 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.551 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 31.9 ttm -63.36 -32.2 73.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.894 177.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.28 -25.95 65.41 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.642 -0.662 . . . . 0.0 111.513 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.6 m -80.61 8.52 7.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.168 0.987 . . . . 0.0 112.507 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.59 136.88 58.18 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 119.934 1.243 . . . . 0.0 110.518 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -96.98 164.07 2.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.022 1.729 . . . . 0.0 108.956 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.79 122.74 19.21 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.89 -33.55 62.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.06 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 p -66.55 -24.88 66.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.313 0.645 . . . . 0.0 112.332 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -73.3 -55.5 6.33 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.68 -39.22 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.537 1.535 . . . . 0.0 111.48 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -49.9 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.695 0.798 . . . . 0.0 111.269 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.31 -41.34 96.88 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 123.136 0.574 . . . . 0.0 110.96 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.89 -37.74 83.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.814 0.734 . . . . 0.0 109.172 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.563 1.545 . . . . 0.0 112.199 171.871 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.37 98.13 8.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -165.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -115.42 -34.41 4.94 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.354 -167.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.28 -11.27 22.78 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.992 0.808 . . . . 0.0 110.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -109.35 143.0 39.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.501 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -70.95 117.19 12.14 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 119.55 1.068 . . . . 0.0 108.483 174.786 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.56 10.55 0.65 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -126.3 133.83 51.3 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.352 1.061 . . . . 0.0 109.658 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.64 147.29 32.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 126.242 1.817 . . . . 0.0 108.441 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -138.54 141.92 39.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.418 1.087 . . . . 0.0 108.959 170.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.16 122.43 31.72 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -65.13 166.16 14.03 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.616 -0.677 . . . . 0.0 109.204 172.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -76.13 -13.09 19.24 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 120.865 1.043 . . . . 0.0 111.954 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.0 -20.93 62.35 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.151 1.38 . . . . 0.0 111.129 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 -1.02 12.77 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.367 1.46 . . . . 0.0 113.08 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.99 136.99 39.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.534 1.534 . . . . 0.0 110.099 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.88 96.91 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -84.14 172.11 12.23 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.466 0.706 . . . . 0.0 110.737 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.91 -157.03 25.89 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.71 170.66 68.0 Favored 'Cis proline' 0 N--CA 1.458 -0.593 0 CA-C-N 118.178 0.989 . . . . 0.0 113.042 6.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -133.96 160.89 36.34 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.944 1.697 . . . . 0.0 110.139 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 147.11 28.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.962 1.705 . . . . 0.0 108.389 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.68 -34.06 73.78 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 121.728 -0.608 . . . . 0.0 111.347 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -66.14 -37.62 86.13 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.496 0.589 . . . . 0.0 110.614 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.15 -47.89 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.483 0.583 . . . . 0.0 109.471 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.35 -42.62 91.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.542 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -57.22 -59.74 4.65 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.219 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.26 67.75 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.073 0.852 . . . . 0.0 111.716 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.27 -44.13 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.097 0.959 . . . . 0.0 111.289 175.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.28 74.07 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.193 0.906 . . . . 0.0 110.672 170.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.41 -2.02 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 129.375 3.07 . . . . 0.0 112.811 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.53 8.49 13.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.222 1.809 . . . . 0.0 112.079 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 57.95 38.78 26.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.762 2.025 . . . . 0.0 113.223 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -73.91 -29.14 61.89 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.058 -1.651 . . . . 0.0 110.94 164.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -127.58 166.81 17.33 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.886 1.275 . . . . 0.0 110.561 -165.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.4 p -102.46 166.8 10.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.134 1.373 . . . . 0.0 110.515 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -79.88 -11.75 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.663 -1.273 . . . . 0.0 113.958 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -99.41 25.18 7.22 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 120.5 1.5 . . . . 0.0 111.018 167.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -71.96 100.41 2.45 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.463 -2.023 . . . . 0.0 109.482 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.72 158.47 20.76 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 120.648 -1.282 . . . . 0.0 110.627 167.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 m -142.46 164.26 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.92 1.688 . . . . 0.0 109.032 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.6 p90 -133.57 162.27 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.0 mtt -73.1 155.1 40.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.706 . . . . 0.0 111.556 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -61.96 135.63 57.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 122.05 -0.406 . . . . 0.0 110.135 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.32 -8.09 34.57 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.313 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 170.88 10.22 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.695 1.748 . . . . 0.0 110.834 171.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 t -74.98 144.67 43.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.911 0.884 . . . . 0.0 109.51 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.5 ttm -62.77 -36.11 82.01 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.66 -14.92 60.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.43 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -101.66 26.01 7.86 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.92 1.288 . . . . 0.0 110.773 173.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 169.77 1.44 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.69 1.233 . . . . 0.0 112.195 170.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.53 164.59 28.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 127.709 2.404 . . . . 0.0 107.031 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -75.64 133.26 40.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.024 -1.048 . . . . 0.0 108.625 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.63 -33.81 56.39 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.372 0.669 . . . . 0.0 110.507 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.8 p -71.99 -29.0 63.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.377 -0.827 . . . . 0.0 112.512 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -53.02 53.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 171.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.82 -34.31 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 123.18 0.592 . . . . 0.0 111.482 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.63 -38.83 87.72 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 121.112 -0.992 . . . . 0.0 112.19 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -63.89 -33.49 75.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.117 0.871 . . . . 0.0 109.865 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -77.72 -54.23 6.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.46 1.027 . . . . 0.0 111.119 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.434 0 O-C-N 120.94 -1.1 . . . . 0.0 112.566 -160.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.14 127.47 32.36 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -174.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -97.0 -15.55 21.02 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.188 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -108.64 -34.73 6.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.556 1.071 . . . . 0.0 111.358 -170.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -78.5 148.07 33.62 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 121.12 -0.987 . . . . 0.0 108.472 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.03 98.89 3.73 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -178.627 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.99 1.52 2.27 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -125.39 118.47 25.95 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.923 0.889 . . . . 0.0 108.783 -173.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.59 162.98 13.4 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.99 2.116 . . . . 0.0 108.612 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 19.3 p90 -152.58 170.1 21.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.085 0.954 . . . . 0.0 109.39 170.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.18 125.29 52.05 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 109.23 168.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.35 176.72 3.53 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.604 1.162 . . . . 0.0 109.284 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -66.68 -18.11 53.22 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.873 1.715 . . . . 0.0 111.736 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -17.61 63.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.293 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 19.21 68.22 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.041 0.837 . . . . 0.0 112.404 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.79 151.57 25.53 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.55 158.93 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 161.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -140.76 165.11 28.4 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 171.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.75 -145.24 16.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 165.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -67.19 170.77 44.81 Favored 'Cis proline' 0 N--CA 1.456 -0.734 0 CA-C-N 118.381 1.09 . . . . 0.0 110.94 -3.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -131.4 163.22 28.38 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.692 1.597 . . . . 0.0 109.148 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 153.89 35.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.686 0.794 . . . . 0.0 109.463 169.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.84 -36.49 81.34 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.268 170.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -55.5 -52.01 65.07 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.6 0.636 . . . . 0.0 110.046 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.96 -51.03 69.75 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.323 0.649 . . . . 0.0 110.758 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.29 -40.58 86.59 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.757 -0.59 . . . . 0.0 111.552 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.3 -49.38 77.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.162 0.585 . . . . 0.0 109.535 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.19 -28.9 69.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.301 0.376 . . . . 0.0 111.419 -174.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -78.35 -34.8 48.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.508 1.123 . . . . 0.0 112.15 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 t -60.13 -35.87 76.23 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.272 0.942 . . . . 0.0 109.708 168.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -45.35 93.91 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.119 1.768 . . . . 0.0 109.558 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.21 10.42 3.64 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.719 . . . . 0.0 113.633 173.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 63.39 12.67 6.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.764 2.026 . . . . 0.0 114.576 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -66.05 9.09 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.014 2.125 . . . . 0.0 114.616 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -142.79 169.79 16.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.529 1.932 . . . . 0.0 108.821 -169.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -89.93 150.78 22.02 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.776 0.831 . . . . 0.0 109.443 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -8.31 37.06 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.912 -1.117 . . . . 0.0 113.59 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.78 86.57 2.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 155.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -95.24 131.12 41.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -108.24 156.58 19.2 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.139 0.881 . . . . 0.0 111.21 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -140.38 157.52 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 125.496 1.518 . . . . 0.0 108.444 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.437 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 38.2 p90 -139.14 154.75 48.15 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtm -77.4 158.4 30.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.709 0.766 . . . . 0.0 111.361 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -64.98 105.76 1.1 Allowed 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.638 1.175 . . . . 0.0 110.934 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.7 -14.48 14.68 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.765 1.65 . . . . 0.0 111.328 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.46 173.44 7.91 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 119.311 1.556 . . . . 0.0 110.294 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.72 160.27 15.43 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 165.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.1 ttm -67.35 -32.93 74.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.663 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.28 -27.52 69.39 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.008 -0.52 . . . . 0.0 112.062 174.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -73.97 3.03 7.39 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.84 0.745 . . . . 0.0 112.23 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.74 150.1 42.13 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 119.887 1.221 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.3 m -124.57 157.34 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 125.792 1.637 . . . . 0.0 107.932 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.5 127.04 29.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.65 -30.16 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.602 0.361 . . . . 0.0 111.032 171.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.38 -31.7 72.64 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.054 -1.029 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.45 -50.99 56.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.8 -37.34 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.133 1.373 . . . . 0.0 110.13 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.62 -53.04 42.77 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.346 1.458 . . . . 0.0 111.365 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -62.7 -47.08 85.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.794 0.438 . . . . 0.0 110.217 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.98 -32.28 73.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.472 0.578 . . . . 0.0 112.366 -176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 125.302 1.441 . . . . 0.0 112.114 179.754 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.63 159.36 28.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.63 1.172 . . . . 0.0 109.758 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -24.2 10.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 -171.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.87 -24.36 2.96 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -158.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 157.51 22.44 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -83.12 102.88 12.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.58 -4.77 2.91 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -121.66 117.7 27.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.506 1.122 . . . . 0.0 109.226 -170.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -92.3 154.39 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 126.456 1.902 . . . . 0.0 109.727 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -139.16 153.41 47.94 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 165.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -90.12 113.32 25.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 171.634 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -67.16 163.2 47.68 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 118.174 0.443 . . . . 0.0 109.872 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.31 -4.86 16.08 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.568 1.512 . . . . 0.0 112.337 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.51 -19.75 52.29 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 120.027 1.285 . . . . 0.0 110.871 169.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.94 4.42 21.06 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.893 1.711 . . . . 0.0 113.163 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.07 133.5 48.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 119.014 1.407 . . . . 0.0 108.991 -166.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -77.2 93.0 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -83.2 160.26 21.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.042 0.925 . . . . 0.0 110.883 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.97 -155.85 20.04 Favored Glycine 0 N--CA 1.438 -1.224 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.762 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.3 169.49 72.89 Favored 'Cis proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.63 -0.987 . . . . 0.0 111.95 11.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -131.02 163.41 27.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 127.411 2.284 . . . . 0.0 106.756 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.8 p -85.92 164.16 17.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.22 -31.0 72.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 123.331 0.653 . . . . 0.0 110.977 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 m -73.36 -39.31 65.26 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.387 0.994 . . . . 0.0 109.772 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.27 -49.86 74.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.487 0.585 . . . . 0.0 110.006 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -67.21 -44.33 79.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.302 1.041 . . . . 0.0 111.13 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -58.39 -45.11 88.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.579 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.48 75.64 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.377 0.99 . . . . 0.0 111.622 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -71.74 -42.48 67.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.52 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 t -59.32 -45.56 90.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.659 0.784 . . . . 0.0 110.282 175.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -53.66 -56.31 18.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.738 2.015 . . . . 0.0 108.759 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.76 11.07 1.84 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.019 2.528 . . . . 0.0 114.622 176.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 51.54 36.17 16.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.895 1.678 . . . . 0.0 114.681 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.93 -12.79 61.4 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.493 -1.379 . . . . 0.0 113.226 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.53 -148.09 0.42 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.068 1.347 . . . . 0.0 108.953 -169.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.9 p -127.3 159.89 33.0 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.458 1.103 . . . . 0.0 108.494 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.93 -53.16 60.63 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 121.461 -0.774 . . . . 0.0 109.186 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.15 35.47 0.32 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.647 1.179 . . . . 0.0 113.466 -172.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -92.57 146.8 23.39 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.212 1.805 . . . . 0.0 110.738 -170.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 162.89 28.12 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.131 0.972 . . . . 0.0 112.962 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.16 154.54 15.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 126.106 1.762 . . . . 0.0 109.664 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.462 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 10.5 p90 -146.53 158.93 43.98 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.266 1.026 . . . . 0.0 110.45 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 mtt -73.54 159.88 32.51 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.374 0.607 . . . . 0.0 111.843 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -60.08 154.0 20.37 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.86 -36.2 1.24 Allowed Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.869 1.7 . . . . 0.0 113.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 170.59 11.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.533 1.167 . . . . 0.0 112.749 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -71.87 145.86 48.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.464 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 24.9 ttm -60.78 -39.0 87.18 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.224 171.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -68.15 -24.2 64.96 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.82 -0.55 . . . . 0.0 112.17 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 m -73.87 4.73 4.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.37 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 161.26 6.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.721 1.146 . . . . 0.0 111.678 173.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.59 169.73 20.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.608 1.563 . . . . 0.0 108.339 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.82 129.12 38.95 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.35 -32.33 56.55 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.864 -0.523 . . . . 0.0 111.321 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 p -65.04 -32.58 74.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.436 0.694 . . . . 0.0 111.194 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -51.01 42.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.4 -41.53 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.694 0.798 . . . . 0.0 111.052 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.96 -47.54 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.746 0.818 . . . . 0.0 113.002 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -71.36 -35.67 71.22 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.24 1.016 . . . . 0.0 111.84 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.18 -36.08 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.383 0.673 . . . . 0.0 110.469 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.238 0.479 0 C-N-CA 123.373 0.669 . . . . 0.0 110.289 175.57 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.24 0.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -74.52 108.45 7.3 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.939 1.296 . . . . 0.0 108.23 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -80.46 -21.9 41.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -103.6 -5.78 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.626 1.171 . . . . 0.0 110.855 -163.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -111.09 149.94 30.1 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.578 0.751 . . . . 0.0 110.106 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.627 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -80.41 91.88 5.76 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.39 3.73 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.817 1.247 . . . . 0.0 112.063 -168.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -121.3 145.49 47.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 mt -117.35 153.2 33.41 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.517 1.927 . . . . 0.0 106.539 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -134.76 154.5 51.56 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.05 1.34 . . . . 0.0 109.26 163.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -91.48 126.57 36.61 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 161.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -74.43 -179.04 0.89 Allowed Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.613 0.765 . . . . 0.0 109.299 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.06 -24.94 7.8 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 121.653 1.569 . . . . 0.0 111.718 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.99 -23.51 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.851 1.66 . . . . 0.0 110.517 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.97 5.37 47.3 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.79 1.662 . . . . 0.0 111.796 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.31 132.26 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.689 1.245 . . . . 0.0 107.995 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.6 t -73.31 112.88 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 158.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -80.95 -158.95 0.22 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.564 0.745 . . . . 0.0 109.14 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.05 -169.45 50.05 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.469 -1.395 . . . . 0.0 115.067 146.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 175.53 47.35 Favored 'Cis proline' 0 CA--C 1.539 0.731 0 CA-C-N 117.924 0.862 . . . . 0.0 113.891 7.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -140.47 165.46 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.899 2.08 . . . . 0.0 110.816 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.31 152.85 20.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.778 175.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.43 -45.0 62.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.042 1.337 . . . . 0.0 110.429 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.4 m -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.269 0.628 . . . . 0.0 110.995 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.81 -44.7 76.68 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.141 0.428 . . . . 0.0 110.444 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.8 -42.42 97.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.368 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -59.79 -51.21 70.7 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.294 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.434 1.016 . . . . 0.0 110.616 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -68.63 -42.65 77.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.029 0.931 . . . . 0.0 112.424 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -41.59 97.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.375 0.989 . . . . 0.0 110.258 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.4 -26.76 68.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.389 1.876 . . . . 0.0 111.994 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.15 20.13 14.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.531 1.532 . . . . 0.0 111.394 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 54.13 23.56 4.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.695 2.398 . . . . 0.0 115.017 170.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -65.33 -5.28 6.94 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.167 -0.958 . . . . 0.0 113.179 174.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -131.74 168.15 18.27 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.561 1.544 . . . . 0.0 109.07 -170.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -96.22 173.62 7.3 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.413 1.085 . . . . 0.0 110.095 -170.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -84.52 7.8 18.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.304 1.042 . . . . 0.0 111.089 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -133.7 26.21 4.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.082 1.753 . . . . 0.0 109.066 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -86.23 137.53 32.55 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.115 1.366 . . . . 0.0 109.726 -173.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -126.84 164.43 21.4 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.64 153.03 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.09 1.756 . . . . 0.0 108.18 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 15.7 p90 -140.95 158.93 43.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 mtt -74.14 157.9 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.479 0.657 . . . . 0.0 109.887 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -57.34 130.15 44.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 122.913 0.485 . . . . 0.0 110.058 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.13 -2.91 59.68 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.296 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -80.22 167.58 20.14 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.954 1.377 . . . . 0.0 108.516 166.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.09 144.14 33.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.582 -0.699 . . . . 0.0 109.126 -177.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.414 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 41.8 ttm -59.35 -27.1 65.62 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 122.298 1.047 . . . . 0.0 111.927 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.251 20.7 mt-10 -79.87 -7.17 58.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.078 1.751 . . . . 0.0 111.985 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -88.37 -1.23 57.92 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.482 1.113 . . . . 0.0 112.603 161.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.53 123.77 20.56 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.507 1.503 . . . . 0.0 111.271 -169.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.79 166.69 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 126.216 1.806 . . . . 0.0 109.493 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.26 130.87 44.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.6 tp -53.34 -33.92 55.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.013 0.525 . . . . 0.0 112.367 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 p -61.73 -41.45 97.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.168 0.587 . . . . 0.0 110.382 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.63 -51.49 59.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 86.8 t -61.18 -29.95 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.01 -57.28 7.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.412 1.006 . . . . 0.0 110.198 165.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -63.42 -37.56 87.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . 6.9 mp -61.18 -19.6 61.77 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.138 -1.601 . . . . 0.0 113.141 169.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 119.754 1.161 . . . . 0.0 111.187 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.75 133.86 43.37 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -17.08 34.69 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.05 -24.7 9.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.521 0.601 . . . . 0.0 111.536 -150.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 150.41 21.62 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.43 1.092 . . . . 0.0 110.943 173.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.47 99.84 7.42 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.186 0.995 . . . . 0.0 109.449 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.1 6.64 2.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -168.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -128.82 129.64 45.88 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.001 0.92 . . . . 0.0 109.345 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.7 mt -110.42 156.81 20.3 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 127.352 2.261 . . . . 0.0 109.692 -173.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.62 150.53 33.42 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.622 0.369 . . . . 0.0 110.847 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -89.54 114.22 25.74 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.767 1.627 . . . . 0.0 107.823 169.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.13 164.66 40.14 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.73 -23.2 56.76 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.731 3.621 . . . . 0.0 112.379 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -75.57 -7.72 54.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.72 0.808 . . . . 0.0 113.166 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.53 73.31 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.984 -1.073 . . . . 0.0 113.357 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.67 127.07 29.73 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.069 1.348 . . . . 0.0 107.73 171.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.51 113.19 14.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 161.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.69 168.76 10.8 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.892 0.877 . . . . 0.0 109.407 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.44 -165.02 36.81 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.65 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.05 169.24 72.62 Favored 'Cis proline' 0 N--CA 1.455 -0.744 0 C-N-CA 124.921 -0.866 . . . . 0.0 112.966 20.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.54 162.23 32.46 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.954 1.301 . . . . 0.0 109.26 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.04 151.21 28.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.315 1.046 . . . . 0.0 108.939 174.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.99 -31.16 72.23 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.378 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.1 m -58.52 -45.66 88.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.022 0.828 . . . . 0.0 111.209 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.92 -42.24 81.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.654 0.661 . . . . 0.0 109.913 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.79 -43.34 89.04 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.255 0.622 . . . . 0.0 110.42 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -54.83 -53.52 54.27 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.616 0.644 . . . . 0.0 109.625 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.25 68.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.322 -0.371 . . . . 0.0 111.791 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.05 -30.33 26.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.271 0.941 . . . . 0.0 113.075 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.8 t -60.94 -47.71 85.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.351 0.978 . . . . 0.0 108.665 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.3 -40.32 81.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.568 1.947 . . . . 0.0 110.289 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.29 10.06 9.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.196 1.798 . . . . 0.0 114.2 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 59.46 24.4 13.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.003 2.121 . . . . 0.0 115.019 174.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -70.16 -0.53 7.99 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.335 -1.478 . . . . 0.0 113.419 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 51' ' ' PHE . 19.9 m-85 -131.71 -178.44 4.87 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.05 1.34 . . . . 0.0 111.978 -164.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -121.24 164.2 17.34 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.674 1.59 . . . . 0.0 110.959 -167.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.83 -26.9 66.18 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.582 -0.698 . . . . 0.0 112.402 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -120.04 39.86 3.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.124 0.97 . . . . 0.0 109.681 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 47' ' ' PHE . 23.2 t80 -75.98 107.53 8.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.76 167.34 11.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 120.851 -1.156 . . . . 0.0 109.943 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.2 153.16 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.281 1.032 . . . . 0.0 108.664 167.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.432 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 23.3 p90 -120.7 159.93 24.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.763 0.825 . . . . 0.0 109.408 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 41.5 mtt -70.98 155.12 41.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.403 0.621 . . . . 0.0 110.946 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.8 p -57.66 137.87 55.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 165.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.23 77.99 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-O 117.713 -1.604 . . . . 0.0 114.552 -176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.76 170.52 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.039 2.42 . . . . 0.0 110.694 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -79.12 148.77 32.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.368 2.267 . . . . 0.0 110.067 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.432 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.2 ttm -63.88 -30.23 71.34 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.551 -0.718 . . . . 0.0 111.1 172.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.25 -19.39 65.51 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.451 -1.406 . . . . 0.0 111.823 173.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -9.76 59.03 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.117 0.871 . . . . 0.0 111.657 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 119.91 10.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 119.433 1.015 . . . . 0.0 111.222 -169.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.88 158.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.464 1.506 . . . . 0.0 109.64 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -64.82 124.25 21.48 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.381 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.1 tp -52.44 -25.81 11.04 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 165.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -79.99 -24.91 40.54 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.169 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.07 -46.66 22.9 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.11 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 118.704 0.684 . . . . 0.0 111.386 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.8 -20.45 61.56 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.041 -1.037 . . . . 0.0 113.06 170.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -89.17 -47.65 7.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.791 1.237 . . . . 0.0 110.879 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.87 -14.09 41.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 111.693 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.452 -0.342 0 C-N-CA 126.977 2.111 . . . . 0.0 109.03 175.603 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.841 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m 57.63 48.08 14.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.328 1.064 . . . . 0.0 112.392 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -62.75 164.94 7.12 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.781 0.832 . . . . 0.0 111.005 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.48 -139.77 4.02 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 105.17 111.26 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 C-N-CA 130.072 3.349 . . . . 0.0 107.2 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -76.54 -26.43 55.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.781 0.833 . . . . 0.0 111.396 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.71 -160.92 22.23 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -165.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.2 94.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 126.113 1.765 . . . . 0.0 108.007 169.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -71.69 161.03 31.62 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 125.248 1.419 . . . . 0.0 108.982 169.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 148.85 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 151.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.26 147.23 50.63 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 169.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.04 160.29 39.08 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 126.178 1.791 . . . . 0.0 109.424 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -97.82 101.75 13.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.24 116.35 28.88 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 124.729 1.212 . . . . 0.0 107.842 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.49 2.14 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.11 167.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -112.24 -61.74 1.67 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 124.477 1.111 . . . . 0.0 108.831 -166.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 153.81 35.46 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.971 0.805 . . . . 0.0 110.615 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.88 99.62 9.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.9 -0.72 4.76 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -125.26 118.22 25.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.691 1.132 . . . . 0.0 109.829 -169.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -90.76 157.68 17.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.522 1.929 . . . . 0.0 108.613 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 p90 -145.03 154.38 42.45 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.691 0.396 . . . . 0.0 110.079 166.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 2.2 tttt -96.14 121.81 38.31 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.76 1.624 . . . . 0.0 108.872 172.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -78.54 174.11 6.58 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.104 1.362 . . . . 0.0 111.343 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -84.34 -3.29 10.14 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.87 2.38 . . . . 0.0 113.603 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -25.04 60.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.596 1.089 . . . . 0.0 109.487 160.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.37 -2.39 26.56 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.017 2.246 . . . . 0.0 112.438 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.8 143.2 28.42 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 119.326 1.563 . . . . 0.0 109.285 -171.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.5 t -81.72 130.03 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 168.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -113.66 176.1 5.17 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.078 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.41 -156.49 27.0 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 121.977 -0.452 . . . . 0.0 112.461 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.26 171.45 68.03 Favored 'Cis proline' 0 N--CA 1.454 -0.815 0 CA-C-N 118.244 1.022 . . . . 0.0 112.258 9.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -131.8 162.1 31.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.8 2.04 . . . . 0.0 108.187 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -86.67 161.65 18.34 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.86 -29.53 70.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.05 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.9 m -58.02 -42.7 85.85 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.234 1.834 . . . . 0.0 110.775 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -70.15 -55.58 9.02 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.78 -41.6 82.38 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.727 0.411 . . . . 0.0 110.75 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -56.94 -58.21 9.15 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.964 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.0 72.84 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 118.904 0.774 . . . . 0.0 111.271 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -65.51 -41.16 93.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.124 0.969 . . . . 0.0 111.532 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -65.31 -20.71 66.52 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.145 -0.972 . . . . 0.0 112.045 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.62 -6.37 40.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.455 2.302 . . . . 0.0 111.565 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.83 9.97 13.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.153 1.781 . . . . 0.0 114.876 -173.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 57.74 38.61 27.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 113.653 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -82.35 -24.05 34.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.012 -1.055 . . . . 0.0 111.837 167.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -134.08 176.57 8.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 110.537 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.5 p -121.12 163.95 17.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.802 1.241 . . . . 0.0 108.399 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -54.66 -37.1 65.3 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.358 -0.839 . . . . 0.0 113.007 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -85.88 69.14 10.54 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 108.337 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -133.04 98.5 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 126.449 1.9 . . . . 0.0 107.769 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -87.62 161.66 17.57 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.157 -0.965 . . . . 0.0 111.561 170.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 141.27 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 127.55 2.34 . . . . 0.0 108.005 -173.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 13.0 p90 -132.52 157.29 45.06 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.637 1.175 . . . . 0.0 109.243 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 49.2 mtm -79.24 160.13 27.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 122.147 0.975 . . . . 0.0 112.046 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -61.01 97.44 0.06 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.182 2.193 . . . . 0.0 111.94 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.07 0.2 41.43 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 118.712 -1.049 . . . . 0.0 112.538 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.59 172.89 13.03 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 119.1 1.45 . . . . 0.0 108.284 164.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 m -72.27 143.73 48.65 Favored 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 124.273 1.029 . . . . 0.0 109.556 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.461 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 40.9 ttm -58.05 -23.74 55.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.834 0.826 . . . . 0.0 110.993 170.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -89.76 -17.39 28.32 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.531 1.132 . . . . 0.0 113.534 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 p -77.84 2.59 16.75 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.488 1.495 . . . . 0.0 111.031 162.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 123.45 14.89 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.314 -0.867 . . . . 0.0 110.666 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.71 164.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 108.559 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.0 mt -67.72 127.63 33.5 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.4 tp -50.75 -37.53 42.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.745 1.218 . . . . 0.0 111.538 173.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -15.5 61.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.174 -0.954 . . . . 0.0 110.919 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.2 -33.49 14.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.059 -1.026 . . . . 0.0 112.32 169.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.52 -42.42 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.789 1.177 . . . . 0.0 110.146 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.31 -33.06 67.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.687 1.595 . . . . 0.0 113.782 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -85.49 -37.08 20.11 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.123 0.874 . . . . 0.0 110.887 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.59 -52.35 63.75 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 124.763 1.225 . . . . 0.0 109.713 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t -111.71 105.93 14.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.74 -173.47 45.76 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 108.919 -1.673 . . . . 0.0 108.919 -173.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -67.82 147.63 75.38 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.505 2.137 . . . . 0.0 112.107 -175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -81.05 179.15 8.0 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.333 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t 56.11 84.97 0.08 Allowed 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.539 1.935 . . . . 0.0 110.504 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -172.318 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.788 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -108.04 128.63 54.83 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -138.26 176.09 9.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.942 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.94 173.19 38.89 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t -61.89 115.7 4.25 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.46 -1.024 . . . . 0.0 108.445 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -157.04 165.57 35.75 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.743 1.617 . . . . 0.0 107.336 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 -85.04 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.217 -2.353 . . . . 0.0 107.217 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.46 90.93 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.618 1.167 . . . . 0.0 108.472 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -137.78 149.75 46.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.855 2.462 . . . . 0.0 106.468 168.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.87 162.04 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -134.09 109.0 8.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.36 1.464 . . . . 0.0 108.184 170.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -75.54 132.23 40.58 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.12 146.29 49.29 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -101.2 98.83 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.501 1.52 . . . . 0.0 109.968 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -89.8 -26.93 20.32 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.927 -164.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.71 -34.74 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.986 0.812 . . . . 0.0 110.864 -168.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -66.23 160.93 23.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.693 0.678 . . . . 0.0 109.231 169.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.16 98.05 8.79 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.36 6.1 5.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -124.82 144.71 50.14 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.71 0.804 . . . . 0.0 110.075 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.0 mt -122.11 158.98 28.1 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 127.434 2.293 . . . . 0.0 107.37 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -147.57 158.9 44.2 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.62 122.55 44.63 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.445 0.698 . . . . 0.0 109.51 171.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 165.72 42.11 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.21 -29.47 46.64 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 124.481 3.454 . . . . 0.0 113.232 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -64.32 -13.57 50.92 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.353 1.061 . . . . 0.0 111.564 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.5 -10.82 67.0 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 126.496 1.998 . . . . 0.0 112.711 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.94 128.3 35.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.11 125.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 153.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -110.35 162.67 14.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.974 0.91 . . . . 0.0 110.975 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.86 -147.44 16.32 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.415 170.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.7 167.99 72.19 Favored 'Cis proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.597 -1.001 . . . . 0.0 112.68 1.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.53 161.26 35.07 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.943 1.697 . . . . 0.0 108.553 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -82.25 155.73 24.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.855 0.862 . . . . 0.0 110.074 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 mt -56.92 -41.87 78.95 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.958 171.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -60.76 -45.55 93.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.021 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.31 -52.27 65.99 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.439 1.018 . . . . 0.0 110.498 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.67 -37.94 71.52 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.066 0.394 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -67.18 -62.16 1.57 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.237 1.015 . . . . 0.0 109.752 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.65 -18.65 62.71 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -173.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -76.82 -50.89 12.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.317 1.047 . . . . 0.0 110.939 168.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -58.47 -40.78 83.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.509 1.049 . . . . 0.0 110.624 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -72.0 -7.31 47.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.111 1.764 . . . . 0.0 112.194 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.93 7.4 16.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.576 1.55 . . . . 0.0 111.639 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.255 61.7 mm-40 60.77 50.85 5.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.849 2.06 . . . . 0.0 114.194 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.07 -12.08 55.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 165.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -126.55 -157.2 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.714 1.143 . . . . 0.0 109.714 -170.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.3 p -137.18 166.61 23.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.791 1.236 . . . . 0.0 109.446 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.64 96.46 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.221 -0.924 . . . . 0.0 110.994 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.21 16.93 0.68 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.099 1.36 . . . . 0.0 112.808 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -72.6 107.82 5.3 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 119.938 -1.726 . . . . 0.0 109.369 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -90.32 159.89 16.41 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.676 -1.265 . . . . 0.0 110.33 168.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 m -140.07 155.68 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.613 1.965 . . . . 0.0 108.129 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -137.59 165.6 25.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.661 0.664 . . . . 0.0 110.04 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.4 mtt -81.24 156.82 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.425 0.631 . . . . 0.0 112.633 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -60.53 118.12 6.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.744 0.818 . . . . 0.0 109.979 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.41 4.32 90.0 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.839 -1.534 . . . . 0.0 113.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.23 166.79 11.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.342 1.571 . . . . 0.0 108.892 164.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.82 151.32 30.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.443 1.897 . . . . 0.0 109.956 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -68.02 -33.03 73.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.39 0.676 . . . . 0.0 111.018 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.44 -14.14 62.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.802 0.841 . . . . 0.0 111.862 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 13.23 26.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.008 1.323 . . . . 0.0 110.523 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.5 160.87 12.85 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.043 0.925 . . . . 0.0 110.525 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.95 155.67 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 127.199 2.199 . . . . 0.0 107.064 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.02 131.13 43.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.63 -31.81 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.117 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.2 p -63.75 -33.98 76.86 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.339 0.972 . . . . 0.0 111.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -51.63 26.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.24 -42.32 65.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.189 0.996 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mp -55.06 -51.89 64.92 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.744 1.217 . . . . 0.0 111.268 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -69.25 -21.76 63.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.583 -0.698 . . . . 0.0 112.736 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -81.16 -8.46 59.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.526 1.13 . . . . 0.0 112.537 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 p -123.21 -45.8 2.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.086 1.312 . . . . 0.0 110.729 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.4 170.18 12.92 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.705 -0.622 . . . . 0.0 111.778 156.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.28 169.3 20.36 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.477 2.785 . . . . 0.0 112.761 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.7 86.84 7.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 172.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t 72.23 146.32 0.08 Allowed 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 127.582 2.353 . . . . 0.0 109.843 -165.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.382 0 N-CA-C 105.919 -2.873 . . . . 0.0 105.919 147.212 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m 37.1 52.99 1.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.557 2.343 . . . . 0.0 113.517 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -154.56 166.98 31.61 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.886 1.674 . . . . 0.0 107.657 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.21 -156.35 19.97 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -140.93 131.35 25.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 117.471 0.635 . . . . 0.0 110.16 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -87.3 108.72 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.467 1.507 . . . . 0.0 108.278 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.46 -96.42 0.11 Allowed Glycine 0 C--N 1.333 0.381 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 m -76.6 57.08 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.727 2.011 . . . . 0.0 112.606 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -60.05 145.41 46.58 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.01 -1.057 . . . . 0.0 108.729 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 10' ' ' VAL . 3.4 p -79.58 153.37 4.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.84 86.14 1.05 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.5 0.72 . . . . 0.0 111.164 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -74.46 133.85 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.82 107.99 2.38 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 166.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.24 99.93 1.61 Allowed 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.051 0.844 . . . . 0.0 109.463 -174.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.27 -31.69 12.29 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -171.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.03 -2.38 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.989 1.316 . . . . 0.0 112.168 -164.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.8 145.43 49.06 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 96.3 0.31 Allowed 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 125.086 1.354 . . . . 0.0 110.218 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.51 1.85 2.65 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -169.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -129.75 127.76 41.06 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.569 0.748 . . . . 0.0 110.203 -171.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.2 mt -104.47 158.33 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 127.46 2.304 . . . . 0.0 108.736 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 16.1 p90 -149.12 167.41 25.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.575 -0.726 . . . . 0.0 109.431 173.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -108.9 114.33 28.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.941 1.297 . . . . 0.0 111.172 171.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.37 165.89 49.31 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.86 -4.23 15.09 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 124.415 3.41 . . . . 0.0 112.113 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.97 -23.65 67.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 164.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.29 30.6 58.46 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -170.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.6 166.44 10.42 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.773 1.229 . . . . 0.0 107.914 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -117.12 92.62 2.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -67.88 176.42 2.57 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.595 0.712 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.62 -160.29 28.87 Favored Glycine 0 CA--C 1.524 0.631 0 O-C-N 121.562 -0.711 . . . . 0.0 112.877 166.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.95 170.37 70.88 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 CA-C-N 117.94 0.87 . . . . 0.0 112.998 9.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -135.08 151.93 51.2 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.683 1.593 . . . . 0.0 109.882 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 144.59 39.9 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.928 0.891 . . . . 0.0 108.693 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.1 -33.53 69.2 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.582 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -70.77 -34.14 71.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.965 0.802 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.14 -49.16 65.78 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -58.19 -41.06 83.09 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.288 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -60.19 -49.63 76.87 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.872 174.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.97 76.81 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.955 0.798 . . . . 0.0 111.419 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -70.29 -38.59 75.05 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.006 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -47.23 80.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.068 0.947 . . . . 0.0 110.176 170.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.33 -17.59 64.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.008 1.723 . . . . 0.0 111.773 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.56 12.03 35.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.436 1.895 . . . . 0.0 110.916 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 61.22 23.29 13.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.283 2.233 . . . . 0.0 112.903 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -75.37 -0.81 21.13 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.21 155.69 49.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.759 1.163 . . . . 0.0 108.704 -168.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.6 p -79.51 151.33 30.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.828 -162.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -65.48 -3.91 5.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -170.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -140.12 70.69 1.36 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.514 1.926 . . . . 0.0 108.046 157.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.91 117.36 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.21 1.404 . . . . 0.0 109.343 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -95.03 155.69 16.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 120.067 1.303 . . . . 0.0 110.957 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.19 156.17 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 126.074 1.75 . . . . 0.0 108.603 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.458 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 16.3 p90 -129.68 159.01 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mtt -71.61 166.05 22.66 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.2 0.524 . . . . 0.0 110.117 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -61.31 146.63 47.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.345 0.593 . . . . 0.0 110.244 172.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.18 -36.22 1.1 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.557 1.551 . . . . 0.0 114.33 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.99 161.98 6.11 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.812 1.306 . . . . 0.0 111.158 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -86.31 160.6 19.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.773 0.797 . . . . 0.0 109.562 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.458 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 2.1 ttm -73.61 -25.65 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.692 0.797 . . . . 0.0 111.628 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.14 -8.57 32.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.239 0.616 . . . . 0.0 112.048 164.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 12.32 33.14 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.647 1.979 . . . . 0.0 110.643 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.0 166.7 17.47 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.749 -1.219 . . . . 0.0 111.707 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.96 162.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 126.918 2.087 . . . . 0.0 108.175 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.8 mt -73.62 123.9 24.9 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -50.39 -32.88 18.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.996 0.918 . . . . 0.0 111.038 173.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.9 p -71.93 -27.97 63.16 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.759 1.163 . . . . 0.0 112.223 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -47.28 60.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.1 t -62.13 -31.54 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.36 -43.77 79.47 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.688 1.595 . . . . 0.0 111.168 174.134 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -54.46 16.0 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 124.432 1.093 . . . . 0.0 109.868 173.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.52 74.04 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.044 0.537 . . . . 0.0 111.927 -166.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m -93.33 47.37 1.25 Allowed 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.465 1.106 . . . . 0.0 110.907 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 169.95 -178.57 42.76 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 126.273 1.892 . . . . 0.0 108.492 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.9 148.15 69.97 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.369 1.38 . . . . 0.0 109.406 166.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -72.63 -35.56 67.83 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.676 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m 55.39 66.22 1.28 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 126.18 1.792 . . . . 0.0 111.424 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.675 0 CA-C-O 118.261 -1.3 . . . . 0.0 110.781 175.105 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.668 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -138.86 171.2 14.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.46 1.13 . . . . 0.0 111.087 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -71.3 -179.76 2.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.061 0.934 . . . . 0.0 109.282 165.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.15 87.38 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -134.6 50.05 2.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 125.587 1.555 . . . . 0.0 110.041 -163.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -58.74 177.16 0.15 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.984 151.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.6 -121.87 2.49 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER 69.56 153.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 126.095 1.758 . . . . 0.0 110.781 176.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -90.83 67.79 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.317 1.047 . . . . 0.0 109.794 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 t -121.97 141.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 166.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.85 69.77 0.75 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 109.224 171.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -74.36 154.15 38.97 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -114.07 101.31 9.11 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 158.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.95 147.38 50.66 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 167.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -128.41 5.66 5.73 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -113.96 -52.12 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.447 0.699 . . . . 0.0 110.294 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -62.78 158.52 18.53 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.768 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.5 mt -91.3 109.22 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.72 -2.27 1.75 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.169 -0.92 . . . . 0.0 113.27 -168.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -125.56 126.7 45.23 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.084 0.954 . . . . 0.0 110.618 -173.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.59 160.26 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.408 1.883 . . . . 0.0 108.435 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -145.02 150.51 37.0 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.669 0.271 . . . . 0.0 110.384 166.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -90.44 117.22 28.97 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 170.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -73.77 174.03 5.46 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.263 0.625 . . . . 0.0 110.17 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.72 -7.44 16.62 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.809 1.673 . . . . 0.0 112.93 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.21 -4.44 58.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.822 1.649 . . . . 0.0 110.127 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.47 14.71 81.86 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.281 0.943 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.53 142.88 27.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.54 129.27 37.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 161.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -106.66 162.45 13.75 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.25 -172.02 21.01 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.402 0.525 . . . . 0.0 112.597 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.22 168.87 68.62 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.016 -1.243 . . . . 0.0 113.148 18.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.77 164.38 27.67 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 127.543 2.337 . . . . 0.0 109.271 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -81.96 155.14 25.38 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 123.638 0.586 . . . . 0.0 110.462 170.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.06 -33.47 75.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.581 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -63.56 -45.83 88.68 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.195 0.907 . . . . 0.0 109.519 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -64.48 -44.24 91.63 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.29 0.95 . . . . 0.0 111.722 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.9 -40.9 90.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.914 0.779 . . . . 0.0 111.301 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -60.32 -59.97 4.57 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.57 1.148 . . . . 0.0 110.003 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.11 65.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.704 0.801 . . . . 0.0 112.045 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.1 -40.88 59.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.111 -0.947 . . . . 0.0 112.372 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.48 -39.75 94.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.422 1.01 . . . . 0.0 109.578 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.71 -50.58 72.72 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.517 1.527 . . . . 0.0 108.631 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.46 15.23 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.604 1.962 . . . . 0.0 114.831 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 65.69 12.98 8.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.221 1.808 . . . . 0.0 114.715 172.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.3 -9.79 58.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -121.53 -173.47 2.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.702 1.137 . . . . 0.0 111.032 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -129.24 168.46 16.17 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.416 0.687 . . . . 0.0 110.147 -167.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -63.5 -26.88 68.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.783 0.802 . . . . 0.0 112.06 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -108.87 28.78 8.1 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.206 1.002 . . . . 0.0 110.199 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -79.34 139.55 37.76 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -132.89 158.36 42.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.025 1.33 . . . . 0.0 110.384 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.82 158.16 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.521 0.729 . . . . 0.0 110.08 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.459 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 9.7 p90 -136.46 155.41 50.03 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.648 1.579 . . . . 0.0 108.092 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.6 mtm -78.94 164.82 24.1 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.508 0.595 . . . . 0.0 111.213 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -58.83 149.96 25.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.69 -21.71 1.2 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-O 117.842 -1.532 . . . . 0.0 115.427 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -75.87 174.37 9.98 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 120.791 2.296 . . . . 0.0 110.145 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.92 144.33 33.47 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.308 1.043 . . . . 0.0 109.715 168.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.459 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 44.6 ttm -61.1 -40.14 92.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.763 0.425 . . . . 0.0 110.116 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -74.61 -12.79 60.54 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.468 -0.77 . . . . 0.0 111.559 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.0 -2.51 30.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.94 166.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 144.84 37.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.811 0.732 . . . . 0.0 110.346 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 m -110.84 164.82 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.796 2.038 . . . . 0.0 108.793 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.22 133.25 50.24 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 120.129 -1.607 . . . . 0.0 109.3 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.17 -28.28 66.46 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.057 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.7 p -67.31 -39.54 85.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 119.597 1.089 . . . . 0.0 112.15 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.2 -49.62 76.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.25 -40.72 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 123.08 0.552 . . . . 0.0 110.598 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -16.37 62.46 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.706 -1.246 . . . . 0.0 113.824 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -87.72 -49.97 6.79 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.915 0.886 . . . . 0.0 109.824 167.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.35 -25.85 66.16 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.478 1.111 . . . . 0.0 111.37 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m -84.1 78.68 9.72 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.236 1.414 . . . . 0.0 109.228 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.01 161.57 25.16 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.992 0.806 . . . . 0.0 111.288 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -80.6 79.08 3.43 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.901 3.068 . . . . 0.0 110.763 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.8 t -118.05 150.47 39.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 163.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -153.37 91.09 1.47 Allowed 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 163.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.076 -2.513 . . . . 0.0 111.664 -170.244 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 106.714 -2.554 . . . . 0.0 106.714 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 168.51 0.5 Allowed 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.84 0.856 . . . . 0.0 110.535 154.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -141.89 -178.2 5.57 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.672 1.189 . . . . 0.0 108.598 163.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.61 135.07 5.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.559 -1.817 . . . . 0.0 108.559 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -140.98 -50.77 0.44 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.095 1.358 . . . . 0.0 107.917 170.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -64.18 171.71 2.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.282 0.633 . . . . 0.0 109.923 162.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 98.96 0.18 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.5 t -80.8 64.58 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.334 1.054 . . . . 0.0 108.761 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 150.97 41.05 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.179 -0.951 . . . . 0.0 110.267 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.83 167.15 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 175.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -94.32 67.86 3.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 122.051 0.929 . . . . 0.0 112.167 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 m -75.31 134.51 41.03 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 163.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -74.77 101.33 4.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 160.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 105.26 10.24 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -70.29 -31.31 68.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.329 -1.349 . . . . 0.0 112.189 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.88 -35.85 23.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.986 0.812 . . . . 0.0 109.672 -165.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -72.81 141.62 48.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.58 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.58 106.22 12.43 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -140.58 4.53 1.96 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -118.23 119.23 34.06 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 123.433 0.693 . . . . 0.0 109.875 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.31 156.64 18.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 127.354 2.261 . . . . 0.0 108.419 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 17.4 p90 -153.63 165.65 35.27 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 167.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -107.7 113.98 27.63 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.857 0.863 . . . . 0.0 108.723 168.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.65 173.7 0.96 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.955 1.302 . . . . 0.0 108.533 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.92 39.02 0.76 Allowed 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.617 3.545 . . . . 0.0 110.401 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -125.25 -15.73 6.16 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.268 2.227 . . . . 0.0 110.757 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.34 -1.54 76.7 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.371 1.939 . . . . 0.0 114.945 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.51 143.14 29.25 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.627 2.371 . . . . 0.0 110.022 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.84 97.36 3.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -74.29 157.7 35.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.7 -175.88 16.77 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 122.041 -0.412 . . . . 0.0 113.882 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.61 170.87 59.43 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.855 -0.894 . . . . 0.0 112.951 8.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.97 165.51 25.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.589 1.955 . . . . 0.0 110.09 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -80.49 152.73 28.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.705 1.202 . . . . 0.0 109.378 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.14 -32.53 74.26 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.477 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.7 m -60.13 -53.67 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.543 0.61 . . . . 0.0 109.801 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.98 -48.8 80.27 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.691 0.678 . . . . 0.0 109.676 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.62 -44.33 85.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.497 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -62.68 -53.61 51.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.683 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.5 68.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.783 0.72 . . . . 0.0 111.852 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -73.22 -43.21 61.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.464 0.705 . . . . 0.0 111.097 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.45 99.14 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.702 0.683 . . . . 0.0 110.622 174.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.03 -30.39 59.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.721 2.008 . . . . 0.0 110.58 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.6 7.55 45.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.801 1.641 . . . . 0.0 112.527 -175.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 62.97 21.01 12.64 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.072 1.749 . . . . 0.0 112.791 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -75.46 -3.52 34.39 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.004 -1.06 . . . . 0.0 112.644 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.53 171.65 10.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 119.561 1.073 . . . . 0.0 110.115 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -101.91 155.37 18.2 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.067 -165.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -61.1 -9.13 4.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.616 1.566 . . . . 0.0 112.694 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.62 34.12 4.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.663 1.585 . . . . 0.0 111.139 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.72 142.56 48.19 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.232 -0.917 . . . . 0.0 110.5 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HG3' ' HA ' ' A' ' 65' ' ' LEU . 3.6 mpt_? -130.06 159.89 35.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 111.752 172.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.33 149.73 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 125.43 1.492 . . . . 0.0 107.807 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 20.0 p90 -127.01 157.1 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 172.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.8 mtm -78.63 169.66 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 110.173 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -62.19 154.2 28.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.337 0.589 . . . . 0.0 111.018 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.76 -24.15 0.4 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.084 1.802 . . . . 0.0 114.275 -176.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.28 173.38 10.28 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 119.055 1.427 . . . . 0.0 111.946 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.7 149.46 25.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.241 1.817 . . . . 0.0 110.311 172.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.443 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 1.6 ttp -64.04 -25.2 68.01 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.651 170.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.84 -8.57 56.15 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.827 -1.17 . . . . 0.0 111.61 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.55 27.8 8.46 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.917 2.087 . . . . 0.0 108.292 173.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.26 131.64 37.31 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.174 1.39 . . . . 0.0 110.604 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.17 161.0 3.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 125.644 1.578 . . . . 0.0 109.877 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 18.8 mt -62.09 125.12 22.76 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.7 tp -51.32 -36.0 40.65 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.907 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -18.1 61.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.844 1.258 . . . . 0.0 112.462 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -79.19 -54.85 5.57 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.402 1.481 . . . . 0.0 107.564 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.6 t -52.26 -40.18 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.251 1.421 . . . . 0.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -44.31 63.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.264 1.425 . . . . 0.0 112.242 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -71.59 -45.98 60.62 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.985 0.914 . . . . 0.0 110.364 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.9 mt -53.93 -50.06 67.28 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.521 0.729 . . . . 0.0 110.507 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p -67.22 98.82 0.64 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.038 1.335 . . . . 0.0 111.111 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.25 155.51 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.11 96.99 0.81 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.963 2.442 . . . . 0.0 108.296 157.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 p -157.04 175.96 13.39 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.483 1.113 . . . . 0.0 112.163 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 p -104.87 -12.43 16.26 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.191 2.196 . . . . 0.0 112.2 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 N-CA-C 104.607 -3.397 . . . . 0.0 104.607 157.878 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.73 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 107.15 0.75 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.888 0.875 . . . . 0.0 109.705 -174.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -25.97 3.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.988 1.715 . . . . 0.0 110.78 -172.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.78 10.92 14.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.202 1.382 . . . . 0.0 115.872 164.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -109.04 76.21 0.99 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.846 1.823 . . . . 0.0 108.578 -166.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.82 116.84 9.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.5 -157.9 12.61 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.252 0.93 . . . . 0.0 111.251 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -61.4 82.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.235 1.814 . . . . 0.0 111.717 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.88 127.77 33.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.356 1.462 . . . . 0.0 109.192 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.72 152.96 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 150.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.0 mt -144.87 122.23 11.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -128.39 121.85 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.388 1.475 . . . . 0.0 107.113 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -63.5 102.3 0.41 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.612 1.165 . . . . 0.0 108.949 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.92 120.91 21.1 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.873 0.844 . . . . 0.0 110.996 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.03 -27.34 18.69 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.519 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.66 25.98 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.152 0.981 . . . . 0.0 110.285 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 148.32 51.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.526 -1.359 . . . . 0.0 107.41 166.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.11 95.18 4.84 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -137.94 10.12 2.83 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.385 0.674 . . . . 0.0 112.771 -168.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -135.28 155.25 50.93 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.606 1.162 . . . . 0.0 109.288 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.8 mt -131.33 162.45 30.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 127.417 2.287 . . . . 0.0 108.096 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 p90 -149.36 161.89 41.17 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 165.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.51 44.22 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -76.05 168.4 28.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 122.847 0.459 . . . . 0.0 110.097 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.6 -11.07 15.71 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.259 1.973 . . . . 0.0 112.49 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.11 -35.93 74.48 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.007 0.923 . . . . 0.0 109.698 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.38 7.11 3.63 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.503 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.08 133.5 51.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.142 1.377 . . . . 0.0 108.395 -167.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.33 109.11 6.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -86.8 165.16 16.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.351 0.596 . . . . 0.0 109.621 175.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.32 -148.74 18.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.902 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.5 172.09 36.39 Favored 'Cis proline' 0 N--CA 1.453 -0.874 0 C-N-CA 124.144 -1.19 . . . . 0.0 112.648 -2.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -137.4 157.23 47.04 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 125.801 1.641 . . . . 0.0 109.845 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.08 148.78 25.55 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.12 1.768 . . . . 0.0 110.605 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.29 -27.12 67.68 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 118.826 -1.15 . . . . 0.0 110.468 -172.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -64.72 -41.32 96.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.76 0.709 . . . . 0.0 110.181 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -66.09 -53.21 40.91 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.01 -44.54 82.91 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.085 0.402 . . . . 0.0 111.573 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -61.39 -52.68 63.58 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.222 0.609 . . . . 0.0 109.835 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.1 -22.85 67.01 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -83.68 -28.87 28.04 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.942 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -62.92 -44.65 95.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.421 1.009 . . . . 0.0 108.444 166.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.99 -19.49 65.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.591 2.356 . . . . 0.0 111.877 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.86 7.31 28.07 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.918 1.687 . . . . 0.0 111.173 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.84 15.36 5.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.672 1.589 . . . . 0.0 114.975 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -67.98 11.45 0.15 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.854 1.662 . . . . 0.0 112.96 166.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -139.74 158.56 43.91 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.444 1.897 . . . . 0.0 108.333 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -80.74 167.97 19.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 110.177 -176.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -71.67 -31.73 67.1 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.173 -0.955 . . . . 0.0 112.083 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -106.69 39.6 1.81 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.251 1.42 . . . . 0.0 111.372 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -78.2 142.03 38.22 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 120.895 -1.128 . . . . 0.0 111.345 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.46 157.73 31.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.557 -0.714 . . . . 0.0 112.751 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.61 160.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 127.317 2.247 . . . . 0.0 108.793 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.527 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 32.4 p90 -140.51 160.22 40.48 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.718 0.807 . . . . 0.0 108.934 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.8 mtt -71.02 158.22 36.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.499 0.72 . . . . 0.0 111.28 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 p -57.81 138.61 55.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.918 -0.489 . . . . 0.0 110.278 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.83 -31.42 2.78 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 117.772 -1.571 . . . . 0.0 112.929 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.73 168.34 19.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.947 1.874 . . . . 0.0 112.069 -170.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -73.67 126.19 29.76 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 125.365 1.466 . . . . 0.0 110.527 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 20.0 ttm -53.13 -37.51 61.86 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.675 0.79 . . . . 0.0 110.634 163.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.0 -9.15 35.73 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.42 19.57 14.66 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.559 1.072 . . . . 0.0 110.447 172.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.09 160.11 2.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.292 1.437 . . . . 0.0 110.866 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 m -128.01 159.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.867 1.267 . . . . 0.0 109.157 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.15 119.88 9.81 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 tp -48.95 -36.51 17.62 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.943 0.777 . . . . 0.0 110.164 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 p -68.48 -23.6 64.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.845 0.858 . . . . 0.0 112.141 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -29.56 21.7 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.307 -0.871 . . . . 0.0 110.43 171.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.81 -36.08 68.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 O-C-N 120.744 -1.223 . . . . 0.0 109.368 168.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.9 -25.77 68.47 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.216 1.406 . . . . 0.0 113.804 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -81.2 -40.91 23.13 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.348 1.059 . . . . 0.0 110.163 171.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.12 -34.64 78.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.774 0.83 . . . . 0.0 110.214 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -68.81 112.95 5.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.95 154.06 25.31 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.44 96.19 1.03 Allowed 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.125 2.55 . . . . 0.0 108.756 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -140.64 133.84 29.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.29 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 m -113.95 172.04 7.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.043 1.737 . . . . 0.0 109.113 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.798 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -174.187 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.87 0 CA-C-O 118.704 -1.053 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -62.59 90.69 0.04 OUTLIER 'General case' 0 C--O 1.232 0.179 0 C-N-CA 125.279 1.431 . . . . 0.0 109.867 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -93.2 176.44 6.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.152 1.381 . . . . 0.0 109.553 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.99 124.19 33.33 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -115.25 174.17 6.13 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.947 1.699 . . . . 0.0 107.912 162.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -150.99 112.07 4.33 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 121.126 -0.984 . . . . 0.0 109.243 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.45 -107.72 2.41 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.883 -0.954 . . . . 0.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.0 t -51.12 107.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 126.588 1.955 . . . . 0.0 110.917 -162.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.78 170.57 7.91 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.019 1.728 . . . . 0.0 110.539 173.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -139.11 150.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 161.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 mt -139.7 118.36 12.32 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -120.71 142.14 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -70.11 115.2 9.04 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.86 138.95 55.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 167.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -133.21 -27.55 1.59 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.634 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.93 -24.99 20.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.96 0.904 . . . . 0.0 111.582 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -88.02 158.13 18.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.11 96.37 9.42 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -134.88 -6.58 2.41 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.73 116.68 31.14 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.11 0.868 . . . . 0.0 110.351 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.6 mt -90.46 155.29 19.02 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -147.36 148.49 31.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.501 0.72 . . . . 0.0 109.257 168.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HE2' ' CE ' ' A' ' 60' ' ' MET . 1.3 tttm -89.32 128.98 35.93 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 171.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 23.7 p30 -81.5 -179.81 1.62 Allowed Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.908 0.883 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 88.6 Cg_endo -80.4 -11.68 13.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.039 1.826 . . . . 0.0 112.986 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.34 -29.52 63.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.83 0.741 . . . . 0.0 109.026 170.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.58 12.46 30.53 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.038 1.78 . . . . 0.0 111.682 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.36 142.73 27.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.135 1.967 . . . . 0.0 107.997 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -74.73 104.35 3.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -90.94 155.16 18.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.689 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.69 -160.02 14.18 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 123.785 0.707 . . . . 0.0 112.412 165.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.73 171.3 68.8 Favored 'Cis proline' 0 N--CA 1.461 -0.436 0 CA-C-N 118.228 1.014 . . . . 0.0 112.668 8.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -138.03 161.82 35.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.368 1.867 . . . . 0.0 110.598 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.05 145.78 46.32 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.917 1.287 . . . . 0.0 108.83 166.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.94 -35.87 71.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -64.43 -37.9 89.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.694 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -63.97 -47.95 78.39 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.561 1.073 . . . . 0.0 110.012 173.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.03 -42.51 85.5 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.083 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -57.32 -51.91 67.49 Favored 'General case' 0 C--O 1.227 -0.081 0 CA-C-O 117.554 -1.212 . . . . 0.0 109.833 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.45 85.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.438 1.017 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.339 0.518 . . . . 0.0 111.185 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -60.64 -43.51 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.155 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.26 -40.08 82.02 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.296 1.838 . . . . 0.0 111.53 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.61 9.03 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.074 1.749 . . . . 0.0 111.487 171.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 58.28 27.39 15.17 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.743 2.017 . . . . 0.0 114.649 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -61.76 -7.12 3.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.203 1.401 . . . . 0.0 113.008 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -131.6 173.52 11.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 126.276 1.83 . . . . 0.0 109.066 -160.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -95.18 166.76 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.442 1.097 . . . . 0.0 108.639 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 7.1 42.81 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 120.81 -1.181 . . . . 0.0 111.809 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -141.37 70.26 1.34 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 155.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -86.68 140.43 29.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.881 0.872 . . . . 0.0 109.307 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.58 160.65 30.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.436 0.695 . . . . 0.0 112.084 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.95 153.8 15.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 126.244 1.818 . . . . 0.0 109.077 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -148.82 157.48 43.47 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.536 0.734 . . . . 0.0 110.925 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 mtt -72.7 162.52 29.38 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 123.185 1.469 . . . . 0.0 112.228 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.2 p -59.48 127.24 31.09 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.942 -1.027 . . . . 0.0 108.963 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -17.77 41.42 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.773 -1.015 . . . . 0.0 113.037 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -66.99 164.89 16.72 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.304 1.552 . . . . 0.0 110.345 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 145.24 37.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.441 ' CE ' ' HE2' ' A' ' 23' ' ' LYS . 47.0 ttm -58.85 -31.44 68.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 167.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.55 -8.5 57.91 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.633 -0.667 . . . . 0.0 112.67 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.8 m -92.46 8.16 39.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.402 1.001 . . . . 0.0 111.607 163.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 164.41 11.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 119.583 1.083 . . . . 0.0 111.216 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.29 161.14 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.836 1.254 . . . . 0.0 109.854 -176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 124.17 23.0 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -52.71 -31.67 38.91 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.832 0.708 . . . . 0.0 111.34 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.24 -41.23 98.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.891 0.853 . . . . 0.0 110.802 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -36.8 72.02 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 121.66 -0.65 . . . . 0.0 109.695 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.4 t -69.81 -31.32 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 124.085 0.954 . . . . 0.0 110.609 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -50.27 74.23 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.684 1.193 . . . . 0.0 109.726 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.42 -47.12 86.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.752 0.821 . . . . 0.0 111.455 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.78 -41.94 95.47 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.472 0.709 . . . . 0.0 111.492 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -64.37 -35.66 81.6 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.542 -0.724 . . . . 0.0 110.502 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 -177.6 54.18 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.353 0.978 . . . . 0.0 111.011 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.89 111.34 2.6 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.473 2.115 . . . . 0.0 110.997 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 p -151.08 154.61 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.73 1.212 . . . . 0.0 107.795 157.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m 30.33 77.89 0.03 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 128.313 2.645 . . . . 0.0 114.291 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.736 0 N-CA-C 105.328 -3.109 . . . . 0.0 105.328 175.113 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.869 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -138.43 122.7 18.19 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 171.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 58.47 -171.6 0.11 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 125.391 1.476 . . . . 0.0 111.945 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.79 -108.51 0.73 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 58.37 177.02 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.27 1.428 . . . . 0.0 113.028 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t 53.99 18.61 1.73 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.169 1.388 . . . . 0.0 112.012 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.87 -158.61 23.17 Favored Glycine 0 C--N 1.337 0.637 0 O-C-N 120.822 -1.174 . . . . 0.0 110.682 -152.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.258 0.9 OUTLIER 69.09 133.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 127.958 2.503 . . . . 0.0 112.222 171.438 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.57 167.44 25.39 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 120.616 -1.303 . . . . 0.0 109.161 170.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m -69.2 161.65 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 165.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 mt -120.62 102.22 8.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 165.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.72 154.77 28.97 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.124 1.77 . . . . 0.0 107.619 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -102.68 102.65 12.86 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.64 123.8 27.12 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -95.55 -15.56 22.76 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 116.86 -1.543 . . . . 0.0 112.566 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.8 -50.47 3.84 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 120.332 1.424 . . . . 0.0 111.189 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 161.56 30.85 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.079 0.854 . . . . 0.0 110.892 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -84.17 102.2 12.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -132.31 0.48 3.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -122.64 119.56 31.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.824 0.738 . . . . 0.0 109.72 -171.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.6 mt -93.67 164.45 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 126.745 2.018 . . . . 0.0 109.598 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.68 161.53 42.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.453 0.701 . . . . 0.0 109.754 163.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -101.72 139.32 37.53 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.806 1.242 . . . . 0.0 109.91 165.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 0.9 OUTLIER -109.47 174.52 2.36 Favored Pre-proline 0 C--O 1.24 0.574 0 C-N-CA 123.844 0.858 . . . . 0.0 109.715 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 56.4 Cg_endo -80.24 45.02 1.85 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 125.184 3.923 . . . . 0.0 110.09 175.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -124.25 -18.68 5.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 129.729 3.212 . . . . 0.0 108.989 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.67 13.55 80.31 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 124.149 0.881 . . . . 0.0 112.532 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.56 149.21 21.78 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 163.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -78.95 141.68 15.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 159.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -118.59 166.64 12.47 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.749 0.785 . . . . 0.0 110.476 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.27 -163.51 37.59 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.114 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.76 168.45 76.17 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.854 -1.311 . . . . 0.0 114.609 21.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.32 160.82 37.2 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.89 2.076 . . . . 0.0 109.087 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.2 p -92.41 155.72 17.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.96 0.904 . . . . 0.0 110.935 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.67 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.7 m -62.99 -48.15 80.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.001 0.818 . . . . 0.0 109.393 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.02 -50.45 73.69 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 122.512 0.325 . . . . 0.0 110.134 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.6 mt -63.52 -42.46 98.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.691 0.397 . . . . 0.0 111.438 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -54.32 -52.69 60.74 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.206 1.002 . . . . 0.0 110.36 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.43 78.37 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.528 0.731 . . . . 0.0 112.723 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -77.25 -34.24 55.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.987 0.915 . . . . 0.0 111.655 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -59.47 -46.02 89.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -48.13 79.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.419 1.088 . . . . 0.0 110.804 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.86 11.83 0.34 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.249 1.82 . . . . 0.0 114.027 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 51.97 37.21 20.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.149 1.779 . . . . 0.0 112.206 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.39 -36.56 66.05 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.827 -1.171 . . . . 0.0 110.109 162.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -110.33 -171.13 1.77 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.779 0.831 . . . . 0.0 111.233 -167.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -134.42 165.18 25.76 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.763 0.825 . . . . 0.0 109.587 -169.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -62.55 -8.24 6.03 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.549 1.94 . . . . 0.0 113.394 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -126.23 24.14 6.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.617 1.567 . . . . 0.0 109.538 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -82.98 142.33 31.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.799 1.24 . . . . 0.0 108.719 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.14 160.06 35.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 111.764 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -140.39 150.03 21.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 110.653 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.453 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 31.9 p90 -131.44 159.26 38.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.606 1.163 . . . . 0.0 110.238 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.0 mtt -77.28 157.78 30.57 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.142 0.496 . . . . 0.0 110.691 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.7 p -61.19 119.24 8.02 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.55 -0.719 . . . . 0.0 111.714 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.41 -10.3 75.15 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.313 0.959 . . . . 0.0 112.792 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.8 165.15 23.04 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 118.502 1.151 . . . . 0.0 108.82 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -83.57 152.21 24.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.404 0.621 . . . . 0.0 109.632 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 22.5 ttm -60.89 -28.44 68.89 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.088 1.355 . . . . 0.0 112.31 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -29.84 70.44 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.255 -1.528 . . . . 0.0 110.428 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -75.51 2.18 12.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.417 1.487 . . . . 0.0 111.332 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 147.54 53.23 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 120.5 -1.375 . . . . 0.0 110.453 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.03 161.84 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.858 1.263 . . . . 0.0 108.724 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.9 120.71 10.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 108.316 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.25 -31.24 53.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.08 0.552 . . . . 0.0 110.361 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 p -67.22 -23.33 65.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.998 0.919 . . . . 0.0 111.998 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.98 -37.67 16.18 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 173.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.76 -30.68 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.204 0.911 . . . . 0.0 111.011 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -47.63 85.11 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 120.903 -1.123 . . . . 0.0 110.832 170.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -60.94 -46.83 89.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.872 -1.142 . . . . 0.0 110.27 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.66 0.16 5.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.918 1.287 . . . . 0.0 112.917 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -146.8 86.9 1.67 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.15 151.81 17.68 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -70.85 166.97 27.21 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.396 2.064 . . . . 0.0 109.072 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -65.66 164.85 13.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.911 0.778 . . . . 0.0 111.452 -172.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t 52.27 -161.64 0.09 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.454 1.102 . . . . 0.0 109.943 -157.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.81 0 C-N-CA 126.913 2.197 . . . . 0.0 114.171 179.003 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.1 -178.75 4.28 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 125.944 1.698 . . . . 0.0 109.529 164.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -134.46 96.72 3.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.73 -82.6 0.3 Allowed Glycine 0 C--N 1.333 0.412 0 CA-C-O 118.444 -1.198 . . . . 0.0 111.285 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m 33.21 71.31 0.09 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.691 1.596 . . . . 0.0 110.869 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -54.4 107.94 0.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.538 1.535 . . . . 0.0 110.418 -171.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.32 -79.26 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 105.856 -2.898 . . . . 0.0 105.856 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -124.78 -155.9 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.439 1.496 . . . . 0.0 109.383 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mmt-85 -69.49 141.81 53.87 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 121.331 -0.855 . . . . 0.0 108.704 163.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.0 149.92 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 151.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -137.21 123.98 21.21 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.3 t -130.59 159.71 36.36 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.429 1.092 . . . . 0.0 110.516 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.81 101.08 11.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.65 123.32 47.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -101.73 9.36 41.01 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.574 0.75 . . . . 0.0 112.498 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.1 -72.46 0.67 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.32 144.12 57.22 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.315 0.578 . . . . 0.0 111.603 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.699 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.49 120.31 12.64 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 166.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -149.01 5.71 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -124.16 127.86 48.39 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.361 1.064 . . . . 0.0 108.917 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.01 159.93 14.8 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 127.601 2.36 . . . . 0.0 108.352 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -155.35 166.33 33.87 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.79 126.86 51.22 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.124 1.37 . . . . 0.0 108.407 169.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 169.34 16.45 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 118.66 0.664 . . . . 0.0 109.405 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.97 -24.51 19.43 Favored 'Trans proline' 0 C--N 1.349 0.584 1 C-N-CA 125.526 4.151 . . . . 0.0 114.158 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.98 -17.46 64.69 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.132 1.373 . . . . 0.0 112.128 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.97 -12.07 68.71 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.729 1.157 . . . . 0.0 112.475 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.55 134.52 43.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.659 1.229 . . . . 0.0 107.846 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.95 136.63 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 158.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.4 162.02 18.61 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.83 -165.15 13.29 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 163.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.13 171.14 69.6 Favored 'Cis proline' 0 CA--C 1.535 0.531 0 C-N-CA 124.996 -0.835 . . . . 0.0 114.234 12.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.95 167.69 20.47 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.334 1.854 . . . . 0.0 109.473 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -87.2 157.52 19.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.95 -36.26 74.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.615 -0.707 . . . . 0.0 111.152 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -65.23 -46.92 78.67 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.927 1.291 . . . . 0.0 111.219 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -62.47 -46.05 90.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.692 0.678 . . . . 0.0 109.551 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.16 -43.97 96.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.474 0.71 . . . . 0.0 110.479 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -56.31 -46.25 79.93 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.821 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.01 83.66 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.567 0.622 . . . . 0.0 111.619 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -59.14 -36.31 75.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.73 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 t -62.66 -45.73 91.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.598 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.9 -13.43 59.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.537 0.608 . . . . 0.0 111.878 -171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.54 47.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.697 1.599 . . . . 0.0 112.108 167.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 52.4 52.43 14.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.466 2.306 . . . . 0.0 113.423 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.97 11.48 6.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.208 1.403 . . . . 0.0 113.02 167.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -122.74 -161.92 0.98 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.249 1.42 . . . . 0.0 111.444 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 p -128.67 162.28 27.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.619 1.168 . . . . 0.0 109.535 -171.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -1.43 3.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -144.08 48.74 1.38 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.43 1.468 . . . . 0.0 108.225 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -84.17 136.15 34.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.513 0.673 . . . . 0.0 109.871 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 162.92 28.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.329 1.051 . . . . 0.0 111.271 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 150.18 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.424 1.49 . . . . 0.0 107.673 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.9 p90 -129.06 157.43 41.76 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.5 mtt -72.67 165.89 23.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 122.108 0.956 . . . . 0.0 110.691 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -59.1 155.72 13.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.488 0.661 . . . . 0.0 109.809 168.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.57 -26.18 0.48 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.458 1.028 . . . . 0.0 114.525 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.12 162.24 25.95 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.612 1.706 . . . . 0.0 112.202 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.2 t -73.0 155.51 39.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.111 0.964 . . . . 0.0 108.739 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.49 -33.57 69.94 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.354 0.662 . . . . 0.0 111.086 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -30.34 70.27 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.403 -0.811 . . . . 0.0 110.988 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -75.33 4.98 6.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.818 2.047 . . . . 0.0 112.339 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 149.55 48.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.771 -1.205 . . . . 0.0 110.175 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.53 160.18 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 125.406 1.482 . . . . 0.0 109.306 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.72 129.18 40.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.37 -32.43 62.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.934 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 p -67.1 -31.96 72.79 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.606 -0.684 . . . . 0.0 111.814 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.17 -47.55 42.87 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -42.74 73.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.459 1.104 . . . . 0.0 111.638 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -46.68 87.75 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.348 1.059 . . . . 0.0 111.485 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -51.67 69.03 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.377 1.071 . . . . 0.0 109.7 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.17 -32.16 73.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.614 0.643 . . . . 0.0 111.901 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -93.74 25.52 3.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.26 -179.75 35.32 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.02 0.819 . . . . 0.0 111.955 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -80.21 57.32 6.45 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 124.759 3.64 . . . . 0.0 112.368 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 m -135.25 169.69 17.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.978 0.511 . . . . 0.0 111.35 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 p -68.37 173.16 5.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.204 1.002 . . . . 0.0 110.013 167.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 177.329 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.915 0 N-CA-C 106.167 -2.773 . . . . 0.0 106.167 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -67.82 -173.8 0.39 Allowed 'General case' 0 C--O 1.244 0.765 0 CA-C-N 118.341 1.071 . . . . 0.0 109.037 151.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -147.59 -158.14 0.88 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.611 1.564 . . . . 0.0 107.528 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.51 102.34 2.9 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t 48.06 95.87 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.5 2.32 . . . . 0.0 113.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -123.82 85.17 2.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.41 1.084 . . . . 0.0 110.088 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.82 33.85 0.88 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.292 0.948 . . . . 0.0 113.589 -167.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 t -62.13 105.25 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 125.431 1.492 . . . . 0.0 107.311 173.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.97 165.09 11.84 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.308 1.043 . . . . 0.0 108.59 159.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.36 163.21 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 124.736 1.214 . . . . 0.0 108.127 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 mt -138.71 75.15 1.5 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.833 0.825 . . . . 0.0 110.251 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.32 160.54 30.2 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.948 0.899 . . . . 0.0 110.905 173.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -93.06 103.05 15.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.363 1.465 . . . . 0.0 110.604 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.69 98.89 2.01 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 122.142 0.972 . . . . 0.0 110.6 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -93.18 -6.62 47.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 117.818 -1.086 . . . . 0.0 111.863 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -124.79 -15.86 6.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 120.448 1.476 . . . . 0.0 114.064 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -109.19 151.44 26.48 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.079 1.308 . . . . 0.0 109.005 171.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.652 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.86 99.4 4.47 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -131.56 -11.2 3.54 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -104.49 115.15 29.85 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.582 1.083 . . . . 0.0 109.791 -171.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.08 154.89 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.701 1.601 . . . . 0.0 107.496 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 21.1 p90 -140.54 160.9 39.0 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 165.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -101.08 148.71 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 162.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.0 OUTLIER -119.44 178.39 1.11 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.098 0.959 . . . . 0.0 109.146 -176.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 69.8 Cg_endo -71.43 -11.63 28.63 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.638 2.892 . . . . 0.0 111.563 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -64.57 -22.12 66.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.523 1.129 . . . . 0.0 110.482 168.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.48 -6.94 74.94 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 126.618 2.056 . . . . 0.0 112.81 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.29 140.26 43.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.748 1.274 . . . . 0.0 108.528 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.68 134.56 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 152.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -120.14 170.38 9.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.83 1.652 . . . . 0.0 109.03 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -161.32 31.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.17 170.86 70.4 Favored 'Cis proline' 0 N--CA 1.452 -0.914 0 CA-C-N 118.402 1.101 . . . . 0.0 112.568 15.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CE2' ' CE2' ' A' ' 22' ' ' TYR . 74.6 m-85 -140.05 160.43 39.94 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.459 1.903 . . . . 0.0 108.753 -172.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.4 p -86.34 153.59 21.84 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.006 0.432 . . . . 0.0 110.61 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.21 -24.59 67.95 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 m -76.46 -37.0 57.58 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.672 1.124 . . . . 0.0 110.728 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HB3' ' CH2' ' A' ' 41' ' ' TRP . 61.1 mt-30 -57.61 -49.98 74.64 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.89 -35.73 79.23 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.578 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.46 -53.6 55.57 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.467 1.03 . . . . 0.0 110.305 170.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.0 86.17 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.721 0.692 . . . . 0.0 111.348 -174.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 37' ' ' GLN . 21.2 m0 -67.0 -41.17 87.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 122.54 0.336 . . . . 0.0 110.846 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.35 -38.02 89.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 110.903 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.06 -29.42 70.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 126.181 1.792 . . . . 0.0 111.125 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.16 11.34 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.828 1.651 . . . . 0.0 112.682 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 52.65 31.0 9.47 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.165 1.786 . . . . 0.0 113.88 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.27 -31.63 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.425 -0.797 . . . . 0.0 110.462 168.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CD1' ' CE2' ' A' ' 51' ' ' PHE . 18.5 m-85 -124.04 167.09 14.65 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.757 1.223 . . . . 0.0 110.188 -162.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 p -108.41 174.66 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.145 1.378 . . . . 0.0 110.108 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -68.35 -5.08 16.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.485 1.114 . . . . 0.0 113.776 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.93 31.17 5.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.043 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 47' ' ' PHE . 38.1 t80 -86.09 103.21 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.096 -1.002 . . . . 0.0 109.122 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.72 159.2 19.23 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 120.64 -1.287 . . . . 0.0 112.116 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.18 154.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 127.077 2.151 . . . . 0.0 108.305 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 25.1 p90 -141.85 156.06 45.54 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.838 0.855 . . . . 0.0 108.89 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.9 mtt -73.09 157.39 37.38 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.4 p -61.58 150.53 35.87 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.86 -27.74 4.77 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.947 -0.918 . . . . 0.0 112.149 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -94.26 169.69 10.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.439 1.62 . . . . 0.0 110.958 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 122.58 1.181 . . . . 0.0 110.423 -174.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 31.5 ttm -74.8 -34.02 62.33 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.951 1.3 . . . . 0.0 111.255 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.06 -38.77 90.04 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.549 -0.719 . . . . 0.0 110.362 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 t -72.9 -3.53 26.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.701 2.001 . . . . 0.0 112.49 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.74 144.01 55.34 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 120.186 1.357 . . . . 0.0 111.004 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.6 m -107.25 166.86 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 126.367 1.867 . . . . 0.0 108.779 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.75 133.63 38.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.57 -1.331 . . . . 0.0 109.173 -177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.26 -33.46 69.42 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.702 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -34.46 78.42 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.766 1.167 . . . . 0.0 111.757 178.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -53.3 19.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.908 0.883 . . . . 0.0 108.875 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.79 -27.15 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 122.592 0.357 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.11 87.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.709 1.204 . . . . 0.0 111.571 170.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -66.92 -46.66 74.12 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.358 173.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.13 -52.43 55.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.24 0.616 . . . . 0.0 110.549 -174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -80.65 48.17 1.03 Allowed 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.595 -1.315 . . . . 0.0 109.885 170.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.63 129.18 5.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.2 104.39 0.6 Allowed 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.491 2.127 . . . . 0.0 108.348 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 t -150.4 103.24 3.12 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 168.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -76.76 -24.03 52.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.755 0.422 . . . . 0.0 111.895 -175.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.308 0 N-CA-C 105.804 -2.919 . . . . 0.0 105.804 -175.576 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.745 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p -66.96 167.74 11.16 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 159.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -109.59 -162.78 0.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.963 0.905 . . . . 0.0 109.035 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.02 -149.78 9.42 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.143 -2.383 . . . . 0.0 107.143 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -161.34 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.731 1.212 . . . . 0.0 110.917 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -47.51 -31.99 4.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.749 1.62 . . . . 0.0 115.355 -161.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.06 170.04 41.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.5 m -97.74 56.66 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 124.526 1.131 . . . . 0.0 108.893 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mtp-105 58.81 69.05 0.76 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.658 1.983 . . . . 0.0 110.901 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.6 t -146.53 134.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 125.693 1.597 . . . . 0.0 107.947 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 mt -147.83 118.78 7.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.921 1.688 . . . . 0.0 108.502 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 149.3 38.56 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 161.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -65.68 139.72 58.41 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 159.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -79.63 98.2 6.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -99.93 -18.05 17.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.235 -1.364 . . . . 0.0 112.84 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -120.25 12.27 11.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.197 1.362 . . . . 0.0 112.051 -173.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -127.71 151.39 49.03 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 165.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.29 93.21 1.46 Allowed 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 125.411 1.484 . . . . 0.0 109.4 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.67 3.53 4.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -128.27 121.42 29.27 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.871 0.76 . . . . 0.0 110.535 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.1 mt -90.86 159.78 16.07 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 127.855 2.462 . . . . 0.0 109.18 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 14.9 p90 -149.69 165.77 31.35 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.889 0.476 . . . . 0.0 110.507 165.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.58 120.59 42.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.024 1.329 . . . . 0.0 110.012 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.2 t0 -76.11 -178.9 1.0 Allowed Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.441 1.096 . . . . 0.0 108.745 173.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 16.7 Cg_endo -86.24 40.38 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.626 3.551 . . . . 0.0 109.771 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -120.12 -5.22 10.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.675 1.59 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 0.88 63.01 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.135 1.826 . . . . 0.0 113.709 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.41 128.27 34.66 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.122 1.769 . . . . 0.0 107.816 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.98 128.35 26.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 155.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -104.67 160.0 15.32 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.181 0.993 . . . . 0.0 108.636 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.61 -162.99 14.73 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 124.302 0.954 . . . . 0.0 112.127 168.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.96 167.76 77.66 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.777 -0.926 . . . . 0.0 113.184 10.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -134.61 155.02 51.21 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.808 2.043 . . . . 0.0 108.419 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 147.46 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 167.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.51 -31.74 69.65 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.982 -0.449 . . . . 0.0 110.86 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -59.47 -46.78 87.82 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.218 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.97 -42.75 89.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.958 0.503 . . . . 0.0 111.316 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -41.81 98.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 110.695 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -59.88 -46.28 89.82 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 118.713 0.688 . . . . 0.0 110.287 173.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.06 82.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.2 0.455 . . . . 0.0 111.7 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -67.96 -44.52 76.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.196 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -40.82 88.44 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 109.287 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -30.6 53.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.852 2.061 . . . . 0.0 111.868 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.3 2.67 39.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.638 1.975 . . . . 0.0 112.515 -172.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 71.45 20.06 4.99 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.567 2.347 . . . . 0.0 113.278 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -69.63 -2.99 13.14 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.632 -1.292 . . . . 0.0 113.753 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -131.93 -179.4 5.38 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.904 2.481 . . . . 0.0 108.938 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.6 p -105.51 164.28 12.01 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.653 1.581 . . . . 0.0 110.129 -172.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -70.13 7.57 0.95 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.676 1.19 . . . . 0.0 113.801 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.06 28.44 1.72 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.245 1.818 . . . . 0.0 109.864 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.65 143.62 34.49 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.923 -1.11 . . . . 0.0 111.12 -169.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -125.08 164.99 19.01 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.185 0.994 . . . . 0.0 112.76 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.69 157.16 29.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 126.31 1.844 . . . . 0.0 108.819 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.486 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 29.8 p90 -137.78 159.86 40.83 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 171.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.74 156.22 38.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.045 1.338 . . . . 0.0 111.006 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 p -54.13 102.46 0.06 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.582 1.153 . . . . 0.0 109.809 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.34 -5.7 59.06 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 117.29 -1.839 . . . . 0.0 114.382 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.41 168.17 19.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 120.231 2.015 . . . . 0.0 110.094 170.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.93 138.54 36.12 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 123.497 0.719 . . . . 0.0 109.653 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 29.8 ttm -58.59 -26.31 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.836 1.254 . . . . 0.0 113.586 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.62 -17.48 61.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 118.115 -0.945 . . . . 0.0 112.821 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 m -95.73 15.5 19.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.036 1.734 . . . . 0.0 111.555 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 131.42 46.26 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.87 -1.144 . . . . 0.0 110.583 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -96.6 160.77 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 124.275 1.03 . . . . 0.0 109.515 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 120.34 9.31 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 124.587 1.155 . . . . 0.0 108.144 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.5 tp -53.44 -33.72 55.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.385 171.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -32.53 71.65 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.684 0.674 . . . . 0.0 111.936 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.08 -47.32 71.6 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.376 -0.827 . . . . 0.0 109.101 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.24 -39.82 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.093 1.357 . . . . 0.0 110.578 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.15 -37.97 78.6 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.465 1.106 . . . . 0.0 112.082 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -65.28 -58.63 5.47 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.87 -48.46 79.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.329 0.652 . . . . 0.0 112.682 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.8 m -79.22 60.01 2.94 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.083 1.353 . . . . 0.0 111.641 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.53 166.1 26.59 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 159.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.55 129.02 16.09 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.715 2.277 . . . . 0.0 109.651 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -63.27 135.86 57.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.07 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.07 0.948 . . . . 0.0 111.992 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.438 0 N-CA-C 105.801 -2.92 . . . . 0.0 105.801 178.375 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -61.09 108.15 0.84 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.738 0.815 . . . . 0.0 110.925 -173.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -144.54 121.64 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.701 1.2 . . . . 0.0 108.942 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.18 125.33 2.56 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -147.33 164.65 32.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.904 0.852 . . . . 0.0 108.926 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -148.83 1.01 0.56 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.473 1.909 . . . . 0.0 110.959 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.54 -179.2 44.23 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.804 1.669 . . . . 0.0 109.147 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 t -113.29 106.47 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -84.74 163.74 18.97 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 164.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t 58.91 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 126.83 2.052 . . . . 0.0 111.735 -173.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -142.67 119.59 11.29 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 127.167 2.187 . . . . 0.0 105.863 167.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 154.34 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.557 1.543 . . . . 0.0 107.86 165.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.86 103.01 15.6 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -65.77 119.83 11.93 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -101.12 -15.49 17.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.276 -1.345 . . . . 0.0 112.358 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.52 -40.66 12.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.391 0.996 . . . . 0.0 109.722 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -85.27 157.15 20.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.593 0.558 . . . . 0.0 110.665 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.33 83.34 6.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -119.09 4.59 11.34 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -171.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -129.08 145.67 51.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.562 0.745 . . . . 0.0 109.754 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -124.58 156.48 37.34 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.018 2.127 . . . . 0.0 107.533 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -144.46 150.92 38.42 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 170.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -95.12 123.18 38.47 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.63 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 8.8 p30 -77.87 177.21 2.89 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.454 1.101 . . . . 0.0 110.848 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.7 Cg_endo -83.07 -0.73 10.11 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.036 2.491 . . . . 0.0 114.01 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -82.17 -36.1 27.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 119.563 1.074 . . . . 0.0 109.09 169.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.6 19.45 4.53 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.207 -1.329 . . . . 0.0 112.253 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.49 144.04 38.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 119.76 1.78 . . . . 0.0 108.292 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -83.76 111.85 20.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -87.78 166.57 14.51 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.9 -161.95 21.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 172.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.88 164.77 86.69 Favored 'Cis proline' 0 N--CA 1.455 -0.771 0 C-N-CA 124.507 -1.039 . . . . 0.0 113.14 10.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -132.58 159.87 38.26 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.192 1.397 . . . . 0.0 108.201 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -82.03 149.57 28.04 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.485 1.114 . . . . 0.0 109.618 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.33 -33.36 71.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.913 0.778 . . . . 0.0 110.43 175.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.2 m -62.19 -29.44 70.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.337 0.655 . . . . 0.0 111.934 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -80.24 -50.98 9.48 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 119.235 0.925 . . . . 0.0 109.221 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.77 -42.96 80.31 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.911 0.884 . . . . 0.0 110.319 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -57.34 -54.64 44.54 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.827 0.851 . . . . 0.0 111.053 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.78 79.25 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 123.423 0.452 . . . . 0.0 111.442 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.2 m0 -64.96 -44.32 89.77 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.754 0.822 . . . . 0.0 110.213 170.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t -63.48 -36.91 85.32 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.375 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.3 -50.51 73.72 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 119.288 0.949 . . . . 0.0 109.454 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.89 13.45 0.15 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.233 1.813 . . . . 0.0 113.724 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 70.27 4.96 5.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.862 2.465 . . . . 0.0 114.97 168.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.88 9.14 0.1 Allowed 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -172.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -126.5 178.9 5.59 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.609 1.564 . . . . 0.0 110.894 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.8 p -101.61 167.56 10.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.419 1.488 . . . . 0.0 110.43 -169.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -63.84 -24.63 67.83 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.752 -1.217 . . . . 0.0 112.31 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -129.75 57.93 1.66 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -82.27 115.19 21.23 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.029 0.932 . . . . 0.0 108.511 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -97.72 167.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 119.113 0.869 . . . . 0.0 111.399 169.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.12 157.06 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 126.204 1.802 . . . . 0.0 107.748 169.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.44 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 18.6 p90 -136.81 164.45 28.25 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.1 mtt -78.14 160.32 28.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.288 0.566 . . . . 0.0 110.438 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -61.35 144.49 53.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.409 0.684 . . . . 0.0 109.554 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.11 -9.78 17.74 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.957 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -89.85 176.37 6.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 119.246 1.523 . . . . 0.0 111.588 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.57 128.42 33.36 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.348 2.259 . . . . 0.0 109.223 175.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.555 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 38.2 ttm -56.66 -41.09 76.63 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.947 0.499 . . . . 0.0 110.507 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.1 -22.76 66.07 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.088 -1.008 . . . . 0.0 112.453 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -83.91 5.02 26.94 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.983 1.265 . . . . 0.0 112.491 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.28 148.66 11.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.426 1.012 . . . . 0.0 111.537 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.9 160.08 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 125.695 1.598 . . . . 0.0 109.537 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 123.63 20.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.966 1.307 . . . . 0.0 108.077 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 67.4 tp -53.29 -31.06 42.04 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.798 0.439 . . . . 0.0 112.116 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 p -72.28 -20.96 61.43 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.873 0.76 . . . . 0.0 111.287 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.8 -39.56 19.84 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.908 1.283 . . . . 0.0 108.784 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.95 -34.26 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.808 -0.558 . . . . 0.0 110.494 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -56.38 19.07 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.3 169.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -58.27 -40.9 83.06 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.414 1.086 . . . . 0.0 111.747 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.09 -43.93 97.14 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t -93.44 44.14 1.13 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 111.281 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 121.02 168.39 13.52 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.227 0.918 . . . . 0.0 112.488 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.48 81.12 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.833 2.355 . . . . 0.0 110.965 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.5 m -149.89 134.4 17.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.402 1.481 . . . . 0.0 107.814 170.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.0 m -126.0 -7.08 6.62 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.002 1.321 . . . . 0.0 112.303 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 -140.409 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -168.03 162.34 13.18 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.546 1.138 . . . . 0.0 108.917 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -90.62 151.0 21.48 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 162.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.03 124.95 0.96 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 107.558 -2.217 . . . . 0.0 107.558 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -146.52 95.85 2.67 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -145.83 84.5 1.67 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 119.244 0.929 . . . . 0.0 109.83 170.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.91 62.73 6.04 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.1 t -73.21 70.95 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 126.406 1.883 . . . . 0.0 108.697 -175.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.28 0.1 OUTLIER 44.33 -159.54 0.02 OUTLIER 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.336 2.254 . . . . 0.0 112.837 -164.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.86 160.86 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 108.751 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 88.01 1.5 Allowed 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.732 0.813 . . . . 0.0 110.872 173.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m -74.82 147.01 41.54 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.507 -0.745 . . . . 0.0 109.232 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.34 138.95 56.1 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.309 1.044 . . . . 0.0 112.217 -166.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -72.21 99.31 2.33 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.989 1.716 . . . . 0.0 108.91 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -112.36 -17.57 12.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.121 -0.987 . . . . 0.0 113.028 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -115.27 1.16 13.72 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.742 1.217 . . . . 0.0 112.1 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 162.85 15.84 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 166.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -82.83 103.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -137.37 1.83 2.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -128.33 119.77 25.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 118.928 0.786 . . . . 0.0 110.663 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -90.85 156.74 17.79 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.136 2.174 . . . . 0.0 108.607 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -151.34 157.39 42.42 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 171.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -98.3 116.99 31.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.248 1.419 . . . . 0.0 108.778 169.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 175.79 4.4 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 164.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.47 -10.94 20.63 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.808 2.338 . . . . 0.0 113.461 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -27.42 68.88 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.668 1.122 . . . . 0.0 111.041 165.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.12 -0.74 66.82 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.61 -1.106 . . . . 0.0 112.954 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.27 135.31 55.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.903 1.352 . . . . 0.0 107.58 166.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.01 94.36 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 166.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -75.86 164.66 25.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.713 0.768 . . . . 0.0 109.092 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.49 -168.23 30.58 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.155 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.92 167.49 74.86 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 124.56 -1.017 . . . . 0.0 113.728 19.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.26 162.05 34.08 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.021 1.728 . . . . 0.0 109.784 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.32 144.87 32.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.195 0.998 . . . . 0.0 109.624 168.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.6 -29.47 70.72 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.583 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -65.01 -36.72 85.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.632 1.106 . . . . 0.0 109.745 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.6 -48.84 68.26 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.4 0.545 . . . . 0.0 110.578 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.14 -37.74 86.3 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.732 -0.605 . . . . 0.0 111.343 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -62.06 -48.7 79.05 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.464 1.105 . . . . 0.0 110.049 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.05 78.67 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.245 0.93 . . . . 0.0 111.038 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -75.91 -28.76 58.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.742 1.217 . . . . 0.0 112.06 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -65.12 -30.72 71.68 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.813 165.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.17 -13.31 59.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.806 1.243 . . . . 0.0 112.597 178.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.8 -2.08 20.31 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.227 1.811 . . . . 0.0 111.695 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 51.73 68.73 0.76 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.826 2.05 . . . . 0.0 112.056 -170.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -105.31 11.2 33.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.089 1.356 . . . . 0.0 111.038 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -143.07 155.43 44.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.478 1.511 . . . . 0.0 109.401 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -81.91 172.01 13.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.969 -163.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -17.68 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 170.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -142.19 48.6 1.57 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.501 1.046 . . . . 0.0 108.62 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -83.05 146.16 28.88 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.202 -0.936 . . . . 0.0 111.246 -168.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -127.18 158.77 36.2 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.695 0.798 . . . . 0.0 112.056 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.32 158.65 28.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 126.271 1.828 . . . . 0.0 108.266 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -137.46 160.23 39.7 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.317 0.647 . . . . 0.0 109.607 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.44 158.74 35.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.708 0.766 . . . . 0.0 110.943 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -49.45 121.48 5.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.196 0.999 . . . . 0.0 109.434 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.66 -23.87 28.61 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 125.05 1.309 . . . . 0.0 113.127 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.33 166.49 21.27 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 118.768 1.284 . . . . 0.0 112.721 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.51 145.86 50.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 165.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.6 ttm -57.9 -29.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.813 1.292 . . . . 0.0 110.848 170.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 126.302 1.841 . . . . 0.0 110.499 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.7 m -72.54 -3.44 24.56 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.005 0.922 . . . . 0.0 113.305 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 140.89 56.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.349 0.977 . . . . 0.0 110.962 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.69 163.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.556 1.942 . . . . 0.0 108.757 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.83 126.68 30.19 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.48 -37.36 25.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.688 170.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -26.53 66.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.4 0.68 . . . . 0.0 112.523 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.26 -39.05 23.53 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 109.637 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.69 -35.45 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 121.087 -1.008 . . . . 0.0 109.793 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -27.25 67.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.133 1.373 . . . . 0.0 112.294 169.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -61.48 1.96 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.238 0.926 . . . . 0.0 108.64 168.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.3 -27.58 68.58 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.944 1.297 . . . . 0.0 112.611 -164.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 t -110.72 62.98 0.61 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.04 1.336 . . . . 0.0 108.501 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -78.95 167.62 52.83 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.885 1.231 . . . . 0.0 110.938 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.61 95.06 1.04 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.368 2.045 . . . . 0.0 111.225 -173.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 t -153.65 146.32 24.23 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.514 -0.741 . . . . 0.0 109.493 168.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -66.7 172.71 4.0 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 156.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 N-CA-C 107.558 -2.217 . . . . 0.0 107.558 161.063 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.79 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t 60.57 -89.25 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.492 1.517 . . . . 0.0 110.537 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 m -141.78 117.72 10.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 167.64 12.51 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.439 1.019 . . . . 0.0 111.195 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -77.0 80.63 3.53 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 m -146.33 152.4 39.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.071 1.348 . . . . 0.0 107.887 171.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.03 -131.94 11.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 107.947 -2.061 . . . . 0.0 107.947 -165.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.88 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 121.474 -1.015 . . . . 0.0 109.911 -160.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -51.8 154.87 1.89 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.953 0.901 . . . . 0.0 109.705 171.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.9 157.14 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 124.829 1.252 . . . . 0.0 108.32 -174.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 mt -120.63 87.4 2.74 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 t -136.39 113.34 10.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 171.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.7 102.41 4.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.46 99.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.889 -169.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -89.13 -21.59 23.28 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.932 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -95.74 -53.55 3.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 119.913 1.233 . . . . 0.0 109.268 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.31 159.92 28.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.697 0.68 . . . . 0.0 111.357 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.756 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.97 109.24 5.67 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 171.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.06 6.75 1.57 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -128.11 120.66 27.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.179 0.991 . . . . 0.0 108.989 -174.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 mt -90.57 162.99 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 126.837 2.055 . . . . 0.0 108.854 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -148.37 162.85 38.72 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.749 -0.595 . . . . 0.0 110.004 165.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 5.0 ttmt -102.44 134.25 46.06 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.613 1.165 . . . . 0.0 108.082 169.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.37 174.25 4.59 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.012 0.925 . . . . 0.0 110.587 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.09 -7.22 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.903 2.402 . . . . 0.0 112.574 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.41 -13.5 46.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.437 1.495 . . . . 0.0 110.255 167.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.94 9.85 67.4 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 128.764 3.078 . . . . 0.0 113.381 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.22 137.8 43.29 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.93 145.12 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 160.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -129.98 159.8 35.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.019 1.328 . . . . 0.0 108.309 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.68 -158.79 20.32 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.707 167.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.7 170.0 72.73 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 CA-C-O 122.712 1.047 . . . . 0.0 113.319 9.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.09 165.29 25.4 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.586 1.954 . . . . 0.0 107.967 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -97.29 154.97 17.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.957 0.903 . . . . 0.0 110.865 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -25.22 66.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 118.956 -0.545 . . . . 0.0 112.36 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -66.91 -51.27 57.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.54 -48.65 76.83 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 123.621 0.769 . . . . 0.0 110.753 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.48 -40.93 96.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.303 -0.855 . . . . 0.0 111.456 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -60.0 -49.48 77.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.525 1.057 . . . . 0.0 109.729 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.52 78.38 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 123.686 0.616 . . . . 0.0 110.603 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -70.78 -31.64 68.49 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -62.72 -38.65 91.32 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.226 0.921 . . . . 0.0 109.269 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -79.25 -46.28 18.13 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.608 1.163 . . . . 0.0 110.475 -174.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.21 7.26 2.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.027 1.731 . . . . 0.0 113.18 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 55.18 44.23 28.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.879 2.072 . . . . 0.0 114.343 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -78.67 -13.34 59.87 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.304 -0.872 . . . . 0.0 112.144 164.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -116.87 -158.79 0.71 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.293 1.837 . . . . 0.0 108.543 -167.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.4 p -125.06 160.3 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.872 0.869 . . . . 0.0 109.447 -171.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -68.62 2.32 2.54 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -136.07 31.21 2.98 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.332 1.853 . . . . 0.0 108.386 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -79.08 102.77 8.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.237 -0.914 . . . . 0.0 108.68 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.57 165.94 15.81 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.232 -0.917 . . . . 0.0 109.695 168.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.01 154.83 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 127.116 2.166 . . . . 0.0 107.68 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -134.37 155.84 49.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.4 mtt -73.18 158.97 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.609 1.195 . . . . 0.0 111.215 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.21 101.26 0.28 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.858 1.663 . . . . 0.0 110.757 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.77 13.92 51.61 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.655 -1.081 . . . . 0.0 112.367 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.57 170.66 9.31 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 119.366 1.583 . . . . 0.0 109.698 163.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -75.18 144.17 42.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.523 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 55.8 ttm -62.51 -32.7 73.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.444 0.64 . . . . 0.0 110.708 169.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.01 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.785 -1.197 . . . . 0.0 110.705 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -81.17 10.25 5.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.098 0.863 . . . . 0.0 112.372 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 123.4 18.14 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.221 0.918 . . . . 0.0 110.366 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -96.05 164.3 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 124.88 1.272 . . . . 0.0 107.591 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.73 132.8 49.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 tp -55.3 -38.91 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 164.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -69.1 -23.34 64.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.683 0.674 . . . . 0.0 111.422 -178.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.93 -54.31 8.21 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.211 0.914 . . . . 0.0 108.826 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.04 -34.0 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.442 1.097 . . . . 0.0 111.193 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -27.24 63.2 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.032 1.733 . . . . 0.0 113.042 173.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -93.76 -39.11 10.93 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.636 1.574 . . . . 0.0 110.818 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.99 -52.3 65.6 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 119.235 0.925 . . . . 0.0 109.84 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -68.15 150.85 47.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.05 0.94 . . . . 0.0 108.778 170.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.56 179.79 38.16 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -76.32 65.6 7.18 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.416 3.41 . . . . 0.0 111.846 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -148.66 171.45 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.083 1.353 . . . . 0.0 108.721 171.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -22.86 23.85 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.69 -0.631 . . . . 0.0 110.847 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 N-CA-C 105.706 -2.958 . . . . 0.0 105.706 -153.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.978 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -99.93 163.35 12.48 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 118.662 1.231 . . . . 0.0 111.231 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 m 57.57 -169.98 0.11 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.93 1.692 . . . . 0.0 113.023 -174.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.57 21.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.302 1.906 . . . . 0.0 109.226 -163.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -126.74 125.57 42.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.962 0.905 . . . . 0.0 108.702 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -155.68 -176.62 6.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.581 -0.7 . . . . 0.0 110.48 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.24 -161.84 8.95 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 106.471 -2.652 . . . . 0.0 106.471 173.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.59 106.43 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 162.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -66.22 174.56 2.55 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.372 1.069 . . . . 0.0 108.479 170.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.0 m -64.63 154.63 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 157.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.13 132.22 43.03 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 170.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -135.66 108.55 7.59 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 126.7 2.0 . . . . 0.0 106.625 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -64.87 101.64 0.51 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.83 124.93 30.77 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 168.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -92.55 -4.71 53.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.278 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -114.52 -48.55 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.421 1.488 . . . . 0.0 108.596 -171.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.36 143.09 57.37 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.283 1.401 . . . . 0.0 110.4 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.67 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -77.92 93.74 4.46 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.714 1.206 . . . . 0.0 108.072 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -131.5 0.27 4.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -168.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -125.83 130.84 52.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.754 0.822 . . . . 0.0 109.31 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -108.22 157.91 17.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 126.004 1.722 . . . . 0.0 108.624 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -140.52 154.64 46.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 163.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -93.25 128.29 39.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 166.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -82.4 167.95 26.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 O-C-N 123.103 0.252 . . . . 0.0 110.497 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.16 -16.09 43.88 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.131 2.554 . . . . 0.0 114.865 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.53 -19.33 62.91 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 119.876 1.216 . . . . 0.0 110.065 172.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 33.12 5.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 125.249 1.404 . . . . 0.0 111.068 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.01 137.94 54.62 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.711 1.605 . . . . 0.0 108.362 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.07 116.17 23.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 169.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -95.48 161.16 14.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.759 0.823 . . . . 0.0 109.136 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.02 -153.41 19.45 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.422 -0.655 . . . . 0.0 112.341 169.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.71 166.98 81.57 Favored 'Cis proline' 0 N--CA 1.457 -0.62 0 CA-C-N 118.645 1.222 . . . . 0.0 111.796 4.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 165.15 25.99 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 126.542 1.937 . . . . 0.0 109.085 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 p -80.69 161.4 24.63 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.18 -22.08 62.99 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.93 -1.106 . . . . 0.0 110.823 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -72.17 -39.71 68.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 109.513 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.1 -52.27 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.19 -45.08 94.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 112.222 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.65 91.49 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.03 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.02 83.13 Favored 'General case' 0 CA--C 1.526 0.058 0 CA-C-N 119.301 0.955 . . . . 0.0 111.506 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -67.7 -36.62 80.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.208 0.603 . . . . 0.0 112.218 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -69.83 -39.11 76.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.118 0.872 . . . . 0.0 109.999 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -57.97 -46.63 84.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.563 1.145 . . . . 0.0 107.917 173.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -3.21 12.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.096 1.759 . . . . 0.0 113.868 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 63.22 26.92 15.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.693 1.997 . . . . 0.0 113.488 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.35 -49.15 78.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 122.092 0.948 . . . . 0.0 108.918 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -92.59 172.19 8.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.029 1.332 . . . . 0.0 110.678 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.436 ' H ' ' HB2' ' A' ' 51' ' ' PHE . 73.0 p -112.45 167.11 10.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.609 0.719 . . . . 0.0 111.339 -157.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -65.72 -1.5 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.49 1.516 . . . . 0.0 113.383 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -143.52 40.1 1.43 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.161 1.346 . . . . 0.0 109.764 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.436 ' HB2' ' H ' ' A' ' 48' ' ' THR . 12.9 t80 -77.67 150.49 34.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -133.44 160.35 37.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.432 1.093 . . . . 0.0 112.434 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.69 157.88 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.724 1.61 . . . . 0.0 108.969 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.422 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 13.1 p90 -135.22 159.89 40.12 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.277 1.031 . . . . 0.0 108.716 173.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.0 mtt -75.06 156.55 36.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.435 0.636 . . . . 0.0 110.679 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -60.78 143.53 54.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.973 -0.455 . . . . 0.0 110.101 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.49 6.33 86.56 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.614 -1.103 . . . . 0.0 113.567 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -115.76 167.05 11.27 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.951 1.376 . . . . 0.0 109.004 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 148.82 33.72 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.299 1.439 . . . . 0.0 110.182 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.551 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 31.9 ttm -63.36 -32.2 73.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.894 177.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.28 -25.95 65.41 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.642 -0.662 . . . . 0.0 111.513 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.6 m -80.61 8.52 7.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.168 0.987 . . . . 0.0 112.507 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.59 136.88 58.18 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 119.934 1.243 . . . . 0.0 110.518 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -96.98 164.07 2.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.022 1.729 . . . . 0.0 108.956 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.79 122.74 19.21 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.89 -33.55 62.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.06 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 p -66.55 -24.88 66.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.313 0.645 . . . . 0.0 112.332 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -73.3 -55.5 6.33 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.68 -39.22 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.537 1.535 . . . . 0.0 111.48 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -49.9 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.695 0.798 . . . . 0.0 111.269 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.31 -41.34 96.88 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 123.136 0.574 . . . . 0.0 110.96 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.89 -37.74 83.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.814 0.734 . . . . 0.0 109.172 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -85.39 26.06 0.95 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.563 1.545 . . . . 0.0 112.199 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.38 159.96 13.51 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.004 1.288 . . . . 0.0 110.302 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.72 160.83 48.23 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.843 2.362 . . . . 0.0 110.262 169.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.9 74.19 6.65 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.07 0.948 . . . . 0.0 110.061 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -153.97 92.07 1.51 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.419 1.488 . . . . 0.0 107.551 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 116.988 -2.007 . . . . 0.0 112.678 -172.802 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.864 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -161.38 163.7 30.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.837 2.055 . . . . 0.0 107.136 170.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -157.81 168.79 26.2 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.905 0.775 . . . . 0.0 109.417 158.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -171.35 38.34 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.69 0.662 . . . . 0.0 111.632 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 m 60.03 78.62 0.27 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 128.397 2.679 . . . . 0.0 114.265 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -138.08 -3.7 1.77 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.031 1.332 . . . . 0.0 113.563 168.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.0 -178.2 21.43 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 120.11 1.323 . . . . 0.0 111.346 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 m -84.72 75.87 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 122.971 1.367 . . . . 0.0 110.227 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -68.08 156.49 37.3 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 120.487 -1.383 . . . . 0.0 110.681 167.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -48.45 130.64 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 O-C-N 124.991 1.432 . . . . 0.0 107.699 167.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 pp -145.55 132.03 19.75 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 m -136.16 147.05 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.926 1.69 . . . . 0.0 108.071 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -62.79 134.88 56.93 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.968 0.907 . . . . 0.0 109.26 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.37 98.13 8.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -165.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -115.42 -34.41 4.94 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.354 -167.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.28 -11.27 22.78 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.992 0.808 . . . . 0.0 110.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -109.35 143.0 39.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.501 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -70.95 117.19 12.14 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 119.55 1.068 . . . . 0.0 108.483 174.786 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.56 10.55 0.65 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -126.3 133.83 51.3 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.352 1.061 . . . . 0.0 109.658 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.64 147.29 32.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 126.242 1.817 . . . . 0.0 108.441 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -138.54 141.92 39.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.418 1.087 . . . . 0.0 108.959 170.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.16 122.43 31.72 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -65.13 166.16 14.03 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.616 -0.677 . . . . 0.0 109.204 172.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -76.13 -13.09 19.24 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 120.865 1.043 . . . . 0.0 111.954 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.0 -20.93 62.35 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.151 1.38 . . . . 0.0 111.129 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 -1.02 12.77 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.367 1.46 . . . . 0.0 113.08 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.99 136.99 39.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.534 1.534 . . . . 0.0 110.099 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.88 96.91 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -84.14 172.11 12.23 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.466 0.706 . . . . 0.0 110.737 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.91 -157.03 25.89 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.71 170.66 68.0 Favored 'Cis proline' 0 N--CA 1.458 -0.593 0 CA-C-N 118.178 0.989 . . . . 0.0 113.042 6.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -133.96 160.89 36.34 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.944 1.697 . . . . 0.0 110.139 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 147.11 28.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.962 1.705 . . . . 0.0 108.389 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.68 -34.06 73.78 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 121.728 -0.608 . . . . 0.0 111.347 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -66.14 -37.62 86.13 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.496 0.589 . . . . 0.0 110.614 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.15 -47.89 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.483 0.583 . . . . 0.0 109.471 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.35 -42.62 91.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.542 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -57.22 -59.74 4.65 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.219 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.26 67.75 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.073 0.852 . . . . 0.0 111.716 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.27 -44.13 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.097 0.959 . . . . 0.0 111.289 175.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.28 74.07 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.193 0.906 . . . . 0.0 110.672 170.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.41 -2.02 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 129.375 3.07 . . . . 0.0 112.811 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.53 8.49 13.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.222 1.809 . . . . 0.0 112.079 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 57.95 38.78 26.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.762 2.025 . . . . 0.0 113.223 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -73.91 -29.14 61.89 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.058 -1.651 . . . . 0.0 110.94 164.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -127.58 166.81 17.33 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.886 1.275 . . . . 0.0 110.561 -165.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.4 p -102.46 166.8 10.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.134 1.373 . . . . 0.0 110.515 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -79.88 -11.75 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.663 -1.273 . . . . 0.0 113.958 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -99.41 25.18 7.22 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 120.5 1.5 . . . . 0.0 111.018 167.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -71.96 100.41 2.45 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.463 -2.023 . . . . 0.0 109.482 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.72 158.47 20.76 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 120.648 -1.282 . . . . 0.0 110.627 167.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 m -142.46 164.26 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.92 1.688 . . . . 0.0 109.032 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.6 p90 -133.57 162.27 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.0 mtt -73.1 155.1 40.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.706 . . . . 0.0 111.556 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -61.96 135.63 57.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 122.05 -0.406 . . . . 0.0 110.135 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.32 -8.09 34.57 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.313 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 170.88 10.22 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.695 1.748 . . . . 0.0 110.834 171.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 t -74.98 144.67 43.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.911 0.884 . . . . 0.0 109.51 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.5 ttm -62.77 -36.11 82.01 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.66 -14.92 60.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.43 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -101.66 26.01 7.86 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.92 1.288 . . . . 0.0 110.773 173.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 169.77 1.44 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.69 1.233 . . . . 0.0 112.195 170.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.53 164.59 28.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 127.709 2.404 . . . . 0.0 107.031 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -75.64 133.26 40.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.024 -1.048 . . . . 0.0 108.625 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.63 -33.81 56.39 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.372 0.669 . . . . 0.0 110.507 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.8 p -71.99 -29.0 63.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.377 -0.827 . . . . 0.0 112.512 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -53.02 53.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 171.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.82 -34.31 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 123.18 0.592 . . . . 0.0 111.482 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.63 -38.83 87.72 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 121.112 -0.992 . . . . 0.0 112.19 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -63.89 -33.49 75.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.117 0.871 . . . . 0.0 109.865 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -77.72 -54.23 6.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.46 1.027 . . . . 0.0 111.119 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.55 44.8 1.06 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.94 -1.1 . . . . 0.0 112.566 -160.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.45 169.82 49.77 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.723 0.678 . . . . 0.0 113.782 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -73.32 -167.56 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 125.253 3.969 . . . . 0.0 110.467 162.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -76.08 103.25 6.04 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.806 -0.559 . . . . 0.0 109.549 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m 70.43 158.11 0.18 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 127.478 2.311 . . . . 0.0 114.899 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.436 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -178.41 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.082 0 CA-C-O 119.59 -0.561 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -136.93 166.09 24.47 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 126.162 1.785 . . . . 0.0 108.607 168.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.47 163.03 13.22 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.638 0.775 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 173.06 34.5 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.577 2.036 . . . . 0.0 108.101 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -79.49 61.69 3.59 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.337 1.068 . . . . 0.0 111.695 -176.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -76.61 106.22 8.13 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 169.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 174.27 53.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.7 m -124.88 -170.64 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.788 1.635 . . . . 0.0 107.973 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 50.03 52.62 14.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.234 1.414 . . . . 0.0 110.163 -168.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.75 153.64 38.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 127.67 2.388 . . . . 0.0 106.695 175.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.69 148.57 32.15 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 126.962 2.105 . . . . 0.0 106.158 162.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -136.29 160.13 39.64 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 128.476 2.71 . . . . 0.0 107.048 162.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.58 100.84 11.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.14 127.47 32.36 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -174.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -97.0 -15.55 21.02 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.188 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -108.64 -34.73 6.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.556 1.071 . . . . 0.0 111.358 -170.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -78.5 148.07 33.62 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 121.12 -0.987 . . . . 0.0 108.472 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.03 98.89 3.73 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -178.627 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.99 1.52 2.27 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -125.39 118.47 25.95 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.923 0.889 . . . . 0.0 108.783 -173.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.59 162.98 13.4 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.99 2.116 . . . . 0.0 108.612 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 19.3 p90 -152.58 170.1 21.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.085 0.954 . . . . 0.0 109.39 170.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.18 125.29 52.05 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 109.23 168.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.35 176.72 3.53 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.604 1.162 . . . . 0.0 109.284 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -66.68 -18.11 53.22 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.873 1.715 . . . . 0.0 111.736 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -17.61 63.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.293 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 19.21 68.22 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.041 0.837 . . . . 0.0 112.404 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.79 151.57 25.53 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.55 158.93 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 161.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -140.76 165.11 28.4 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 171.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.75 -145.24 16.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 165.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -67.19 170.77 44.81 Favored 'Cis proline' 0 N--CA 1.456 -0.734 0 CA-C-N 118.381 1.09 . . . . 0.0 110.94 -3.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -131.4 163.22 28.38 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.692 1.597 . . . . 0.0 109.148 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 153.89 35.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.686 0.794 . . . . 0.0 109.463 169.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.84 -36.49 81.34 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.268 170.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -55.5 -52.01 65.07 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.6 0.636 . . . . 0.0 110.046 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.96 -51.03 69.75 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.323 0.649 . . . . 0.0 110.758 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.29 -40.58 86.59 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.757 -0.59 . . . . 0.0 111.552 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.3 -49.38 77.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.162 0.585 . . . . 0.0 109.535 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.19 -28.9 69.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.301 0.376 . . . . 0.0 111.419 -174.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -78.35 -34.8 48.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.508 1.123 . . . . 0.0 112.15 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 t -60.13 -35.87 76.23 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.272 0.942 . . . . 0.0 109.708 168.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -45.35 93.91 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.119 1.768 . . . . 0.0 109.558 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.21 10.42 3.64 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.719 . . . . 0.0 113.633 173.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 63.39 12.67 6.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.764 2.026 . . . . 0.0 114.576 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -66.05 9.09 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.014 2.125 . . . . 0.0 114.616 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -142.79 169.79 16.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.529 1.932 . . . . 0.0 108.821 -169.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -89.93 150.78 22.02 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.776 0.831 . . . . 0.0 109.443 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -8.31 37.06 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.912 -1.117 . . . . 0.0 113.59 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.78 86.57 2.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 155.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -95.24 131.12 41.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -108.24 156.58 19.2 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.139 0.881 . . . . 0.0 111.21 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -140.38 157.52 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 125.496 1.518 . . . . 0.0 108.444 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.437 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 38.2 p90 -139.14 154.75 48.15 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtm -77.4 158.4 30.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.709 0.766 . . . . 0.0 111.361 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -64.98 105.76 1.1 Allowed 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.638 1.175 . . . . 0.0 110.934 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.7 -14.48 14.68 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.765 1.65 . . . . 0.0 111.328 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.46 173.44 7.91 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 119.311 1.556 . . . . 0.0 110.294 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.72 160.27 15.43 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 165.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.1 ttm -67.35 -32.93 74.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.663 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.28 -27.52 69.39 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.008 -0.52 . . . . 0.0 112.062 174.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -73.97 3.03 7.39 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.84 0.745 . . . . 0.0 112.23 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.74 150.1 42.13 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 119.887 1.221 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.3 m -124.57 157.34 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 125.792 1.637 . . . . 0.0 107.932 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.5 127.04 29.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.65 -30.16 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.602 0.361 . . . . 0.0 111.032 171.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.38 -31.7 72.64 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.054 -1.029 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.45 -50.99 56.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.8 -37.34 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.133 1.373 . . . . 0.0 110.13 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.62 -53.04 42.77 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.346 1.458 . . . . 0.0 111.365 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -62.7 -47.08 85.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.794 0.438 . . . . 0.0 110.217 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.98 -32.28 73.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.472 0.578 . . . . 0.0 112.366 -176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.5 t -87.31 4.08 44.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.302 1.441 . . . . 0.0 112.114 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.14 157.59 14.87 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -66.04 167.6 17.6 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.558 2.172 . . . . 0.0 110.2 167.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 p -54.18 135.65 43.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 87.74 3.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 174.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.76 0 N-CA-C 106.172 -2.771 . . . . 0.0 106.172 -157.144 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -154.61 163.7 39.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.422 1.111 . . . . 0.0 108.653 162.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 p -143.76 159.87 41.73 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.535 1.934 . . . . 0.0 106.54 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.12 76.29 0.22 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 173.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.24 129.02 11.59 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.505 2.322 . . . . 0.0 105.117 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -70.46 145.61 50.86 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.49 72.65 0.79 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 124.053 0.835 . . . . 0.0 112.036 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 m -70.39 63.03 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 124.604 1.162 . . . . 0.0 110.534 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 56.48 172.02 0.03 OUTLIER 'General case' 0 C--O 1.236 0.374 0 C-N-CA 128.338 2.655 . . . . 0.0 112.071 -160.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.68 151.86 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.1 70.17 1.47 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -74.56 134.95 42.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 -169.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -71.0 101.94 2.31 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.63 159.36 28.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.63 1.172 . . . . 0.0 109.758 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -24.2 10.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 -171.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.87 -24.36 2.96 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -158.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 157.51 22.44 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -83.12 102.88 12.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.58 -4.77 2.91 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -121.66 117.7 27.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.506 1.122 . . . . 0.0 109.226 -170.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -92.3 154.39 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 126.456 1.902 . . . . 0.0 109.727 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -139.16 153.41 47.94 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 165.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -90.12 113.32 25.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 171.634 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -67.16 163.2 47.68 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 118.174 0.443 . . . . 0.0 109.872 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.31 -4.86 16.08 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.568 1.512 . . . . 0.0 112.337 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.51 -19.75 52.29 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 120.027 1.285 . . . . 0.0 110.871 169.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.94 4.42 21.06 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.893 1.711 . . . . 0.0 113.163 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.07 133.5 48.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 119.014 1.407 . . . . 0.0 108.991 -166.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -77.2 93.0 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -83.2 160.26 21.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.042 0.925 . . . . 0.0 110.883 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.97 -155.85 20.04 Favored Glycine 0 N--CA 1.438 -1.224 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.762 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.3 169.49 72.89 Favored 'Cis proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.63 -0.987 . . . . 0.0 111.95 11.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -131.02 163.41 27.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 127.411 2.284 . . . . 0.0 106.756 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.8 p -85.92 164.16 17.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.22 -31.0 72.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 123.331 0.653 . . . . 0.0 110.977 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 m -73.36 -39.31 65.26 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.387 0.994 . . . . 0.0 109.772 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.27 -49.86 74.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.487 0.585 . . . . 0.0 110.006 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -67.21 -44.33 79.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.302 1.041 . . . . 0.0 111.13 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -58.39 -45.11 88.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.579 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.48 75.64 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.377 0.99 . . . . 0.0 111.622 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -71.74 -42.48 67.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.52 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 t -59.32 -45.56 90.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.659 0.784 . . . . 0.0 110.282 175.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -53.66 -56.31 18.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.738 2.015 . . . . 0.0 108.759 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.76 11.07 1.84 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.019 2.528 . . . . 0.0 114.622 176.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 51.54 36.17 16.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.895 1.678 . . . . 0.0 114.681 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.93 -12.79 61.4 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.493 -1.379 . . . . 0.0 113.226 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.53 -148.09 0.42 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.068 1.347 . . . . 0.0 108.953 -169.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.9 p -127.3 159.89 33.0 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.458 1.103 . . . . 0.0 108.494 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.93 -53.16 60.63 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 121.461 -0.774 . . . . 0.0 109.186 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.15 35.47 0.32 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.647 1.179 . . . . 0.0 113.466 -172.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -92.57 146.8 23.39 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.212 1.805 . . . . 0.0 110.738 -170.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 162.89 28.12 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.131 0.972 . . . . 0.0 112.962 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.16 154.54 15.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 126.106 1.762 . . . . 0.0 109.664 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.462 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 10.5 p90 -146.53 158.93 43.98 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.266 1.026 . . . . 0.0 110.45 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 mtt -73.54 159.88 32.51 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.374 0.607 . . . . 0.0 111.843 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -60.08 154.0 20.37 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.86 -36.2 1.24 Allowed Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.869 1.7 . . . . 0.0 113.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 170.59 11.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.533 1.167 . . . . 0.0 112.749 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -71.87 145.86 48.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.464 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 24.9 ttm -60.78 -39.0 87.18 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.224 171.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -68.15 -24.2 64.96 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.82 -0.55 . . . . 0.0 112.17 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 m -73.87 4.73 4.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.37 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 161.26 6.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.721 1.146 . . . . 0.0 111.678 173.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.59 169.73 20.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.608 1.563 . . . . 0.0 108.339 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.82 129.12 38.95 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.35 -32.33 56.55 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.864 -0.523 . . . . 0.0 111.321 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 p -65.04 -32.58 74.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.436 0.694 . . . . 0.0 111.194 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -51.01 42.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.4 -41.53 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.694 0.798 . . . . 0.0 111.052 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.96 -47.54 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.746 0.818 . . . . 0.0 113.002 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -71.36 -35.67 71.22 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.24 1.016 . . . . 0.0 111.84 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.18 -36.08 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.383 0.673 . . . . 0.0 110.469 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.3 p -70.25 165.89 21.25 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.373 0.669 . . . . 0.0 110.289 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 179.94 173.05 44.59 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 121.549 -0.719 . . . . 0.0 112.438 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.88 151.15 62.43 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.599 2.866 . . . . 0.0 109.866 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 m -68.68 125.6 27.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.883 -0.511 . . . . 0.0 109.761 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -156.35 140.76 16.72 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 170.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.793 0 CA-C-O 116.965 -2.019 . . . . 0.0 110.541 -167.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.343 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 65.36 44.12 3.27 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.076 0.951 . . . . 0.0 109.288 -161.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -139.31 173.45 11.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.401 1.88 . . . . 0.0 108.41 -167.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.4 -103.31 2.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m 39.26 -95.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.796 2.039 . . . . 0.0 111.917 -166.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -146.79 172.01 14.3 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 119.753 1.161 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.92 87.91 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 106.627 -2.589 . . . . 0.0 106.627 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.251 9.6 p -73.92 87.49 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 122.328 1.061 . . . . 0.0 109.435 -171.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 44.73 8.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 130.664 3.586 . . . . 0.0 116.207 -153.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 t -70.18 123.21 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -138.69 87.87 2.25 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.688 1.195 . . . . 0.0 108.485 172.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 t -75.39 160.45 30.26 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.303 -0.873 . . . . 0.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.29 102.1 12.44 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.852 1.261 . . . . 0.0 108.976 -170.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -74.52 108.45 7.3 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.939 1.296 . . . . 0.0 108.23 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -80.46 -21.9 41.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -103.6 -5.78 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.626 1.171 . . . . 0.0 110.855 -163.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -111.09 149.94 30.1 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.578 0.751 . . . . 0.0 110.106 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.627 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -80.41 91.88 5.76 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.39 3.73 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.817 1.247 . . . . 0.0 112.063 -168.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -121.3 145.49 47.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 mt -117.35 153.2 33.41 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.517 1.927 . . . . 0.0 106.539 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -134.76 154.5 51.56 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.05 1.34 . . . . 0.0 109.26 163.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -91.48 126.57 36.61 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 161.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -74.43 -179.04 0.89 Allowed Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.613 0.765 . . . . 0.0 109.299 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.06 -24.94 7.8 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 121.653 1.569 . . . . 0.0 111.718 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.99 -23.51 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.851 1.66 . . . . 0.0 110.517 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.97 5.37 47.3 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.79 1.662 . . . . 0.0 111.796 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.31 132.26 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.689 1.245 . . . . 0.0 107.995 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.6 t -73.31 112.88 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 158.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -80.95 -158.95 0.22 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.564 0.745 . . . . 0.0 109.14 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.05 -169.45 50.05 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.469 -1.395 . . . . 0.0 115.067 146.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 175.53 47.35 Favored 'Cis proline' 0 CA--C 1.539 0.731 0 CA-C-N 117.924 0.862 . . . . 0.0 113.891 7.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -140.47 165.46 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.899 2.08 . . . . 0.0 110.816 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.31 152.85 20.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.778 175.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.43 -45.0 62.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.042 1.337 . . . . 0.0 110.429 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.4 m -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.269 0.628 . . . . 0.0 110.995 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.81 -44.7 76.68 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.141 0.428 . . . . 0.0 110.444 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.8 -42.42 97.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.368 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -59.79 -51.21 70.7 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.294 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.434 1.016 . . . . 0.0 110.616 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -68.63 -42.65 77.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.029 0.931 . . . . 0.0 112.424 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -41.59 97.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.375 0.989 . . . . 0.0 110.258 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.4 -26.76 68.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.389 1.876 . . . . 0.0 111.994 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.15 20.13 14.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.531 1.532 . . . . 0.0 111.394 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 54.13 23.56 4.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.695 2.398 . . . . 0.0 115.017 170.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -65.33 -5.28 6.94 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.167 -0.958 . . . . 0.0 113.179 174.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -131.74 168.15 18.27 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.561 1.544 . . . . 0.0 109.07 -170.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -96.22 173.62 7.3 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.413 1.085 . . . . 0.0 110.095 -170.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -84.52 7.8 18.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.304 1.042 . . . . 0.0 111.089 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -133.7 26.21 4.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.082 1.753 . . . . 0.0 109.066 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -86.23 137.53 32.55 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.115 1.366 . . . . 0.0 109.726 -173.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -126.84 164.43 21.4 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.64 153.03 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.09 1.756 . . . . 0.0 108.18 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 15.7 p90 -140.95 158.93 43.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 mtt -74.14 157.9 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.479 0.657 . . . . 0.0 109.887 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -57.34 130.15 44.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 122.913 0.485 . . . . 0.0 110.058 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.13 -2.91 59.68 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.296 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -80.22 167.58 20.14 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.954 1.377 . . . . 0.0 108.516 166.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.09 144.14 33.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.582 -0.699 . . . . 0.0 109.126 -177.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.414 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 41.8 ttm -59.35 -27.1 65.62 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 122.298 1.047 . . . . 0.0 111.927 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.251 20.7 mt-10 -79.87 -7.17 58.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.078 1.751 . . . . 0.0 111.985 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -88.37 -1.23 57.92 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.482 1.113 . . . . 0.0 112.603 161.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.53 123.77 20.56 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.507 1.503 . . . . 0.0 111.271 -169.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.79 166.69 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 126.216 1.806 . . . . 0.0 109.493 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.26 130.87 44.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.6 tp -53.34 -33.92 55.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.013 0.525 . . . . 0.0 112.367 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 p -61.73 -41.45 97.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.168 0.587 . . . . 0.0 110.382 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.63 -51.49 59.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 86.8 t -61.18 -29.95 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.01 -57.28 7.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.412 1.006 . . . . 0.0 110.198 165.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -63.42 -37.56 87.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . 6.9 mp -61.18 -19.6 61.77 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.138 -1.601 . . . . 0.0 113.141 169.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -47.64 13.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.754 1.161 . . . . 0.0 111.187 172.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.03 160.71 28.5 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 119.669 1.122 . . . . 0.0 114.4 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.36 79.44 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 124.453 3.435 . . . . 0.0 111.931 -169.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 105.33 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.479 1.912 . . . . 0.0 108.164 -168.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -50.16 145.29 6.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.151 0.98 . . . . 0.0 111.654 -173.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 N-CA-C 105.138 -3.185 . . . . 0.0 105.138 161.633 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.649 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m 52.36 60.69 3.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.376 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -151.63 155.29 38.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.662 1.585 . . . . 0.0 107.001 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 86.99 0.96 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 126.638 2.066 . . . . 0.0 110.79 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.69 176.42 8.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.162 0.985 . . . . 0.0 108.681 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -80.92 171.85 14.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.844 0.83 . . . . 0.0 110.338 170.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.13 172.57 19.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 126.115 1.817 . . . . 0.0 110.592 176.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -94.6 104.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 33.48 46.94 0.13 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.444 2.698 . . . . 0.0 114.658 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -136.17 75.5 1.55 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.781 1.232 . . . . 0.0 108.352 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -91.32 152.32 20.51 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 156.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -82.0 102.53 11.03 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.75 133.86 43.37 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -17.08 34.69 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.05 -24.7 9.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.521 0.601 . . . . 0.0 111.536 -150.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 150.41 21.62 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.43 1.092 . . . . 0.0 110.943 173.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.47 99.84 7.42 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.186 0.995 . . . . 0.0 109.449 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.1 6.64 2.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -168.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -128.82 129.64 45.88 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.001 0.92 . . . . 0.0 109.345 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.7 mt -110.42 156.81 20.3 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 127.352 2.261 . . . . 0.0 109.692 -173.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.62 150.53 33.42 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.622 0.369 . . . . 0.0 110.847 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -89.54 114.22 25.74 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.767 1.627 . . . . 0.0 107.823 169.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.13 164.66 40.14 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.73 -23.2 56.76 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.731 3.621 . . . . 0.0 112.379 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -75.57 -7.72 54.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.72 0.808 . . . . 0.0 113.166 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.53 73.31 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.984 -1.073 . . . . 0.0 113.357 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.67 127.07 29.73 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.069 1.348 . . . . 0.0 107.73 171.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.51 113.19 14.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 161.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.69 168.76 10.8 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.892 0.877 . . . . 0.0 109.407 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.44 -165.02 36.81 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.65 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.05 169.24 72.62 Favored 'Cis proline' 0 N--CA 1.455 -0.744 0 C-N-CA 124.921 -0.866 . . . . 0.0 112.966 20.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.54 162.23 32.46 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.954 1.301 . . . . 0.0 109.26 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.04 151.21 28.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.315 1.046 . . . . 0.0 108.939 174.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.99 -31.16 72.23 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.378 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.1 m -58.52 -45.66 88.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.022 0.828 . . . . 0.0 111.209 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.92 -42.24 81.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.654 0.661 . . . . 0.0 109.913 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.79 -43.34 89.04 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.255 0.622 . . . . 0.0 110.42 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -54.83 -53.52 54.27 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.616 0.644 . . . . 0.0 109.625 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.25 68.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.322 -0.371 . . . . 0.0 111.791 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.05 -30.33 26.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.271 0.941 . . . . 0.0 113.075 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.8 t -60.94 -47.71 85.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.351 0.978 . . . . 0.0 108.665 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.3 -40.32 81.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.568 1.947 . . . . 0.0 110.289 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.29 10.06 9.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.196 1.798 . . . . 0.0 114.2 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 59.46 24.4 13.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.003 2.121 . . . . 0.0 115.019 174.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -70.16 -0.53 7.99 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.335 -1.478 . . . . 0.0 113.419 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 51' ' ' PHE . 19.9 m-85 -131.71 -178.44 4.87 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.05 1.34 . . . . 0.0 111.978 -164.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -121.24 164.2 17.34 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.674 1.59 . . . . 0.0 110.959 -167.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.83 -26.9 66.18 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.582 -0.698 . . . . 0.0 112.402 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -120.04 39.86 3.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.124 0.97 . . . . 0.0 109.681 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 47' ' ' PHE . 23.2 t80 -75.98 107.53 8.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.76 167.34 11.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 120.851 -1.156 . . . . 0.0 109.943 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.2 153.16 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.281 1.032 . . . . 0.0 108.664 167.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.432 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 23.3 p90 -120.7 159.93 24.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.763 0.825 . . . . 0.0 109.408 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 41.5 mtt -70.98 155.12 41.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.403 0.621 . . . . 0.0 110.946 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.8 p -57.66 137.87 55.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 165.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.23 77.99 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-O 117.713 -1.604 . . . . 0.0 114.552 -176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.76 170.52 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.039 2.42 . . . . 0.0 110.694 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -79.12 148.77 32.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.368 2.267 . . . . 0.0 110.067 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.432 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.2 ttm -63.88 -30.23 71.34 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.551 -0.718 . . . . 0.0 111.1 172.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.25 -19.39 65.51 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.451 -1.406 . . . . 0.0 111.823 173.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -9.76 59.03 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.117 0.871 . . . . 0.0 111.657 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 119.91 10.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 119.433 1.015 . . . . 0.0 111.222 -169.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.88 158.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.464 1.506 . . . . 0.0 109.64 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -64.82 124.25 21.48 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.381 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.1 tp -52.44 -25.81 11.04 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 165.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -79.99 -24.91 40.54 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.169 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.07 -46.66 22.9 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.11 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 118.704 0.684 . . . . 0.0 111.386 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.8 -20.45 61.56 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.041 -1.037 . . . . 0.0 113.06 170.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -89.17 -47.65 7.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.791 1.237 . . . . 0.0 110.879 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.87 -14.09 41.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 111.693 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -123.62 49.48 1.71 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.977 2.111 . . . . 0.0 109.03 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.39 173.58 19.54 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.431 1.015 . . . . 0.0 110.698 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.89 147.47 19.15 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.467 2.778 . . . . 0.0 109.746 165.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 t -57.88 104.82 0.21 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.236 1.414 . . . . 0.0 108.771 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.4 m 11.91 78.75 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.955 2.902 . . . . 0.0 115.177 -170.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 105.683 -2.967 . . . . 0.0 105.683 158.486 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.24 116.35 28.88 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 124.729 1.212 . . . . 0.0 107.842 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.49 2.14 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.11 167.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -112.24 -61.74 1.67 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 124.477 1.111 . . . . 0.0 108.831 -166.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 153.81 35.46 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.971 0.805 . . . . 0.0 110.615 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.88 99.62 9.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.9 -0.72 4.76 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -125.26 118.22 25.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.691 1.132 . . . . 0.0 109.829 -169.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -90.76 157.68 17.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.522 1.929 . . . . 0.0 108.613 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 p90 -145.03 154.38 42.45 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.691 0.396 . . . . 0.0 110.079 166.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 2.2 tttt -96.14 121.81 38.31 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.76 1.624 . . . . 0.0 108.872 172.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -78.54 174.11 6.58 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.104 1.362 . . . . 0.0 111.343 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -84.34 -3.29 10.14 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.87 2.38 . . . . 0.0 113.603 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -25.04 60.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.596 1.089 . . . . 0.0 109.487 160.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.37 -2.39 26.56 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.017 2.246 . . . . 0.0 112.438 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.8 143.2 28.42 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 119.326 1.563 . . . . 0.0 109.285 -171.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.5 t -81.72 130.03 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 168.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -113.66 176.1 5.17 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.078 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.41 -156.49 27.0 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 121.977 -0.452 . . . . 0.0 112.461 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.26 171.45 68.03 Favored 'Cis proline' 0 N--CA 1.454 -0.815 0 CA-C-N 118.244 1.022 . . . . 0.0 112.258 9.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -131.8 162.1 31.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.8 2.04 . . . . 0.0 108.187 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -86.67 161.65 18.34 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.86 -29.53 70.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.05 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.9 m -58.02 -42.7 85.85 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.234 1.834 . . . . 0.0 110.775 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -70.15 -55.58 9.02 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.78 -41.6 82.38 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.727 0.411 . . . . 0.0 110.75 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -56.94 -58.21 9.15 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.964 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.0 72.84 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 118.904 0.774 . . . . 0.0 111.271 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -65.51 -41.16 93.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.124 0.969 . . . . 0.0 111.532 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -65.31 -20.71 66.52 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.145 -0.972 . . . . 0.0 112.045 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.62 -6.37 40.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.455 2.302 . . . . 0.0 111.565 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.83 9.97 13.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.153 1.781 . . . . 0.0 114.876 -173.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 57.74 38.61 27.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 113.653 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -82.35 -24.05 34.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.012 -1.055 . . . . 0.0 111.837 167.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -134.08 176.57 8.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 110.537 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.5 p -121.12 163.95 17.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.802 1.241 . . . . 0.0 108.399 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -54.66 -37.1 65.3 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.358 -0.839 . . . . 0.0 113.007 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -85.88 69.14 10.54 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 108.337 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -133.04 98.5 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 126.449 1.9 . . . . 0.0 107.769 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -87.62 161.66 17.57 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.157 -0.965 . . . . 0.0 111.561 170.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 141.27 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 127.55 2.34 . . . . 0.0 108.005 -173.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 13.0 p90 -132.52 157.29 45.06 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.637 1.175 . . . . 0.0 109.243 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 49.2 mtm -79.24 160.13 27.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 122.147 0.975 . . . . 0.0 112.046 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -61.01 97.44 0.06 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.182 2.193 . . . . 0.0 111.94 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.07 0.2 41.43 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 118.712 -1.049 . . . . 0.0 112.538 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.59 172.89 13.03 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 119.1 1.45 . . . . 0.0 108.284 164.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 m -72.27 143.73 48.65 Favored 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 124.273 1.029 . . . . 0.0 109.556 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.461 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 40.9 ttm -58.05 -23.74 55.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.834 0.826 . . . . 0.0 110.993 170.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -89.76 -17.39 28.32 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.531 1.132 . . . . 0.0 113.534 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 p -77.84 2.59 16.75 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.488 1.495 . . . . 0.0 111.031 162.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 123.45 14.89 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.314 -0.867 . . . . 0.0 110.666 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.71 164.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 108.559 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.0 mt -67.72 127.63 33.5 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.4 tp -50.75 -37.53 42.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.745 1.218 . . . . 0.0 111.538 173.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -15.5 61.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.174 -0.954 . . . . 0.0 110.919 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.2 -33.49 14.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.059 -1.026 . . . . 0.0 112.32 169.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.52 -42.42 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.789 1.177 . . . . 0.0 110.146 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.31 -33.06 67.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.687 1.595 . . . . 0.0 113.782 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -85.49 -37.08 20.11 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.123 0.874 . . . . 0.0 110.887 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.59 -52.35 63.75 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 124.763 1.225 . . . . 0.0 109.713 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 172.81 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.239 0.541 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -101.2 98.83 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.501 1.52 . . . . 0.0 109.968 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -89.8 -26.93 20.32 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.927 -164.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.71 -34.74 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.986 0.812 . . . . 0.0 110.864 -168.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -66.23 160.93 23.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.693 0.678 . . . . 0.0 109.231 169.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.16 98.05 8.79 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.36 6.1 5.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -124.82 144.71 50.14 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.71 0.804 . . . . 0.0 110.075 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.0 mt -122.11 158.98 28.1 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 127.434 2.293 . . . . 0.0 107.37 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -147.57 158.9 44.2 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.62 122.55 44.63 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.445 0.698 . . . . 0.0 109.51 171.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 165.72 42.11 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.21 -29.47 46.64 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 124.481 3.454 . . . . 0.0 113.232 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -64.32 -13.57 50.92 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.353 1.061 . . . . 0.0 111.564 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.5 -10.82 67.0 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 126.496 1.998 . . . . 0.0 112.711 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.94 128.3 35.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.11 125.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 153.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -110.35 162.67 14.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.974 0.91 . . . . 0.0 110.975 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.86 -147.44 16.32 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.415 170.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.7 167.99 72.19 Favored 'Cis proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.597 -1.001 . . . . 0.0 112.68 1.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.53 161.26 35.07 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.943 1.697 . . . . 0.0 108.553 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -82.25 155.73 24.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.855 0.862 . . . . 0.0 110.074 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 mt -56.92 -41.87 78.95 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.958 171.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -60.76 -45.55 93.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.021 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.31 -52.27 65.99 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.439 1.018 . . . . 0.0 110.498 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.67 -37.94 71.52 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.066 0.394 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -67.18 -62.16 1.57 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.237 1.015 . . . . 0.0 109.752 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.65 -18.65 62.71 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -173.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -76.82 -50.89 12.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.317 1.047 . . . . 0.0 110.939 168.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -58.47 -40.78 83.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.509 1.049 . . . . 0.0 110.624 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -72.0 -7.31 47.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.111 1.764 . . . . 0.0 112.194 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.93 7.4 16.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.576 1.55 . . . . 0.0 111.639 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.255 61.7 mm-40 60.77 50.85 5.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.849 2.06 . . . . 0.0 114.194 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.07 -12.08 55.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 165.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -126.55 -157.2 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.714 1.143 . . . . 0.0 109.714 -170.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.3 p -137.18 166.61 23.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.791 1.236 . . . . 0.0 109.446 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.64 96.46 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.221 -0.924 . . . . 0.0 110.994 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.21 16.93 0.68 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.099 1.36 . . . . 0.0 112.808 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -72.6 107.82 5.3 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 119.938 -1.726 . . . . 0.0 109.369 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -90.32 159.89 16.41 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.676 -1.265 . . . . 0.0 110.33 168.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 m -140.07 155.68 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.613 1.965 . . . . 0.0 108.129 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -137.59 165.6 25.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.661 0.664 . . . . 0.0 110.04 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.4 mtt -81.24 156.82 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.425 0.631 . . . . 0.0 112.633 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -60.53 118.12 6.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.744 0.818 . . . . 0.0 109.979 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.41 4.32 90.0 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.839 -1.534 . . . . 0.0 113.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.23 166.79 11.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.342 1.571 . . . . 0.0 108.892 164.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.82 151.32 30.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.443 1.897 . . . . 0.0 109.956 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -68.02 -33.03 73.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.39 0.676 . . . . 0.0 111.018 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.44 -14.14 62.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.802 0.841 . . . . 0.0 111.862 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 13.23 26.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.008 1.323 . . . . 0.0 110.523 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.5 160.87 12.85 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.043 0.925 . . . . 0.0 110.525 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.95 155.67 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 127.199 2.199 . . . . 0.0 107.064 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.02 131.13 43.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.63 -31.81 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.117 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.2 p -63.75 -33.98 76.86 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.339 0.972 . . . . 0.0 111.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -51.63 26.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.24 -42.32 65.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.189 0.996 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mp -55.06 -51.89 64.92 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.744 1.217 . . . . 0.0 111.268 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -69.25 -21.76 63.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.583 -0.698 . . . . 0.0 112.736 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -81.16 -8.46 59.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.526 1.13 . . . . 0.0 112.537 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 p . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 120.086 1.312 . . . . 0.0 110.729 -175.053 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--O 1.237 0.43 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.24 99.93 1.61 Allowed 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.051 0.844 . . . . 0.0 109.463 -174.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.27 -31.69 12.29 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -171.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.03 -2.38 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.989 1.316 . . . . 0.0 112.168 -164.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.8 145.43 49.06 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 96.3 0.31 Allowed 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 125.086 1.354 . . . . 0.0 110.218 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.51 1.85 2.65 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -169.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -129.75 127.76 41.06 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.569 0.748 . . . . 0.0 110.203 -171.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.2 mt -104.47 158.33 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 127.46 2.304 . . . . 0.0 108.736 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 16.1 p90 -149.12 167.41 25.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.575 -0.726 . . . . 0.0 109.431 173.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -108.9 114.33 28.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.941 1.297 . . . . 0.0 111.172 171.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.37 165.89 49.31 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.86 -4.23 15.09 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 124.415 3.41 . . . . 0.0 112.113 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.97 -23.65 67.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 164.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.29 30.6 58.46 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -170.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.6 166.44 10.42 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.773 1.229 . . . . 0.0 107.914 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -117.12 92.62 2.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -67.88 176.42 2.57 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.595 0.712 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.62 -160.29 28.87 Favored Glycine 0 CA--C 1.524 0.631 0 O-C-N 121.562 -0.711 . . . . 0.0 112.877 166.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.95 170.37 70.88 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 CA-C-N 117.94 0.87 . . . . 0.0 112.998 9.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -135.08 151.93 51.2 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.683 1.593 . . . . 0.0 109.882 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 144.59 39.9 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.928 0.891 . . . . 0.0 108.693 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.1 -33.53 69.2 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.582 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -70.77 -34.14 71.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.965 0.802 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.14 -49.16 65.78 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -58.19 -41.06 83.09 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.288 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -60.19 -49.63 76.87 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.872 174.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.97 76.81 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.955 0.798 . . . . 0.0 111.419 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -70.29 -38.59 75.05 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.006 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -47.23 80.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.068 0.947 . . . . 0.0 110.176 170.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.33 -17.59 64.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.008 1.723 . . . . 0.0 111.773 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.56 12.03 35.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.436 1.895 . . . . 0.0 110.916 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 61.22 23.29 13.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.283 2.233 . . . . 0.0 112.903 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -75.37 -0.81 21.13 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.21 155.69 49.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.759 1.163 . . . . 0.0 108.704 -168.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.6 p -79.51 151.33 30.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.828 -162.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -65.48 -3.91 5.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -170.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -140.12 70.69 1.36 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.514 1.926 . . . . 0.0 108.046 157.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.91 117.36 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.21 1.404 . . . . 0.0 109.343 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -95.03 155.69 16.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 120.067 1.303 . . . . 0.0 110.957 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.19 156.17 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 126.074 1.75 . . . . 0.0 108.603 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.458 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 16.3 p90 -129.68 159.01 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mtt -71.61 166.05 22.66 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.2 0.524 . . . . 0.0 110.117 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -61.31 146.63 47.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.345 0.593 . . . . 0.0 110.244 172.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.18 -36.22 1.1 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.557 1.551 . . . . 0.0 114.33 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.99 161.98 6.11 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.812 1.306 . . . . 0.0 111.158 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -86.31 160.6 19.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.773 0.797 . . . . 0.0 109.562 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.458 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 2.1 ttm -73.61 -25.65 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.692 0.797 . . . . 0.0 111.628 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.14 -8.57 32.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.239 0.616 . . . . 0.0 112.048 164.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 12.32 33.14 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.647 1.979 . . . . 0.0 110.643 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.0 166.7 17.47 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.749 -1.219 . . . . 0.0 111.707 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.96 162.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 126.918 2.087 . . . . 0.0 108.175 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.8 mt -73.62 123.9 24.9 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -50.39 -32.88 18.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.996 0.918 . . . . 0.0 111.038 173.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.9 p -71.93 -27.97 63.16 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.759 1.163 . . . . 0.0 112.223 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -47.28 60.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.1 t -62.13 -31.54 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.36 -43.77 79.47 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.688 1.595 . . . . 0.0 111.168 174.134 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -54.46 16.0 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 124.432 1.093 . . . . 0.0 109.868 173.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.52 74.04 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.044 0.537 . . . . 0.0 111.927 -166.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.235 0.336 0 C-N-CA 124.465 1.106 . . . . 0.0 110.907 -169.91 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.95 147.38 50.66 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 167.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -128.41 5.66 5.73 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -113.96 -52.12 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.447 0.699 . . . . 0.0 110.294 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -62.78 158.52 18.53 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.768 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.5 mt -91.3 109.22 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.72 -2.27 1.75 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.169 -0.92 . . . . 0.0 113.27 -168.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -125.56 126.7 45.23 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.084 0.954 . . . . 0.0 110.618 -173.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.59 160.26 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.408 1.883 . . . . 0.0 108.435 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -145.02 150.51 37.0 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.669 0.271 . . . . 0.0 110.384 166.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -90.44 117.22 28.97 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 170.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -73.77 174.03 5.46 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.263 0.625 . . . . 0.0 110.17 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.72 -7.44 16.62 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.809 1.673 . . . . 0.0 112.93 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.21 -4.44 58.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.822 1.649 . . . . 0.0 110.127 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.47 14.71 81.86 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.281 0.943 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.53 142.88 27.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.54 129.27 37.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 161.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -106.66 162.45 13.75 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.25 -172.02 21.01 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.402 0.525 . . . . 0.0 112.597 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.22 168.87 68.62 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.016 -1.243 . . . . 0.0 113.148 18.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.77 164.38 27.67 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 127.543 2.337 . . . . 0.0 109.271 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -81.96 155.14 25.38 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 123.638 0.586 . . . . 0.0 110.462 170.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.06 -33.47 75.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.581 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -63.56 -45.83 88.68 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.195 0.907 . . . . 0.0 109.519 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -64.48 -44.24 91.63 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.29 0.95 . . . . 0.0 111.722 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.9 -40.9 90.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.914 0.779 . . . . 0.0 111.301 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -60.32 -59.97 4.57 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.57 1.148 . . . . 0.0 110.003 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.11 65.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.704 0.801 . . . . 0.0 112.045 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.1 -40.88 59.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.111 -0.947 . . . . 0.0 112.372 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.48 -39.75 94.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.422 1.01 . . . . 0.0 109.578 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.71 -50.58 72.72 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.517 1.527 . . . . 0.0 108.631 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.46 15.23 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.604 1.962 . . . . 0.0 114.831 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 65.69 12.98 8.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.221 1.808 . . . . 0.0 114.715 172.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.3 -9.79 58.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -121.53 -173.47 2.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.702 1.137 . . . . 0.0 111.032 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -129.24 168.46 16.17 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.416 0.687 . . . . 0.0 110.147 -167.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -63.5 -26.88 68.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.783 0.802 . . . . 0.0 112.06 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -108.87 28.78 8.1 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.206 1.002 . . . . 0.0 110.199 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -79.34 139.55 37.76 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -132.89 158.36 42.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.025 1.33 . . . . 0.0 110.384 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.82 158.16 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.521 0.729 . . . . 0.0 110.08 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.459 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 9.7 p90 -136.46 155.41 50.03 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.648 1.579 . . . . 0.0 108.092 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.6 mtm -78.94 164.82 24.1 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.508 0.595 . . . . 0.0 111.213 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -58.83 149.96 25.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.69 -21.71 1.2 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-O 117.842 -1.532 . . . . 0.0 115.427 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -75.87 174.37 9.98 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 120.791 2.296 . . . . 0.0 110.145 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.92 144.33 33.47 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.308 1.043 . . . . 0.0 109.715 168.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.459 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 44.6 ttm -61.1 -40.14 92.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.763 0.425 . . . . 0.0 110.116 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -74.61 -12.79 60.54 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.468 -0.77 . . . . 0.0 111.559 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.0 -2.51 30.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.94 166.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 144.84 37.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.811 0.732 . . . . 0.0 110.346 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 m -110.84 164.82 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.796 2.038 . . . . 0.0 108.793 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.22 133.25 50.24 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 120.129 -1.607 . . . . 0.0 109.3 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.17 -28.28 66.46 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.057 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.7 p -67.31 -39.54 85.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 119.597 1.089 . . . . 0.0 112.15 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.2 -49.62 76.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.25 -40.72 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 123.08 0.552 . . . . 0.0 110.598 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -16.37 62.46 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.706 -1.246 . . . . 0.0 113.824 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -87.72 -49.97 6.79 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.915 0.886 . . . . 0.0 109.824 167.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.35 -25.85 66.16 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.478 1.111 . . . . 0.0 111.37 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m . . . . . 0 C--O 1.237 0.423 0 C-N-CA 125.236 1.414 . . . . 0.0 109.228 174.77 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 105.26 10.24 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -70.29 -31.31 68.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.329 -1.349 . . . . 0.0 112.189 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.88 -35.85 23.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.986 0.812 . . . . 0.0 109.672 -165.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -72.81 141.62 48.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.58 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.58 106.22 12.43 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -140.58 4.53 1.96 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -118.23 119.23 34.06 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 123.433 0.693 . . . . 0.0 109.875 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.31 156.64 18.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 127.354 2.261 . . . . 0.0 108.419 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 17.4 p90 -153.63 165.65 35.27 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 167.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -107.7 113.98 27.63 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.857 0.863 . . . . 0.0 108.723 168.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.65 173.7 0.96 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.955 1.302 . . . . 0.0 108.533 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.92 39.02 0.76 Allowed 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.617 3.545 . . . . 0.0 110.401 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -125.25 -15.73 6.16 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.268 2.227 . . . . 0.0 110.757 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.34 -1.54 76.7 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.371 1.939 . . . . 0.0 114.945 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.51 143.14 29.25 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.627 2.371 . . . . 0.0 110.022 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.84 97.36 3.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -74.29 157.7 35.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.7 -175.88 16.77 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 122.041 -0.412 . . . . 0.0 113.882 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.61 170.87 59.43 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.855 -0.894 . . . . 0.0 112.951 8.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.97 165.51 25.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.589 1.955 . . . . 0.0 110.09 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -80.49 152.73 28.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.705 1.202 . . . . 0.0 109.378 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.14 -32.53 74.26 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.477 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.7 m -60.13 -53.67 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.543 0.61 . . . . 0.0 109.801 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.98 -48.8 80.27 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.691 0.678 . . . . 0.0 109.676 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.62 -44.33 85.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.497 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -62.68 -53.61 51.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.683 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.5 68.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.783 0.72 . . . . 0.0 111.852 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -73.22 -43.21 61.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.464 0.705 . . . . 0.0 111.097 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.45 99.14 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.702 0.683 . . . . 0.0 110.622 174.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.03 -30.39 59.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.721 2.008 . . . . 0.0 110.58 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.6 7.55 45.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.801 1.641 . . . . 0.0 112.527 -175.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 62.97 21.01 12.64 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.072 1.749 . . . . 0.0 112.791 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -75.46 -3.52 34.39 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.004 -1.06 . . . . 0.0 112.644 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.53 171.65 10.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 119.561 1.073 . . . . 0.0 110.115 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -101.91 155.37 18.2 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.067 -165.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -61.1 -9.13 4.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.616 1.566 . . . . 0.0 112.694 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.62 34.12 4.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.663 1.585 . . . . 0.0 111.139 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.72 142.56 48.19 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.232 -0.917 . . . . 0.0 110.5 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HG3' ' HA ' ' A' ' 65' ' ' LEU . 3.6 mpt_? -130.06 159.89 35.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 111.752 172.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.33 149.73 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 125.43 1.492 . . . . 0.0 107.807 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 20.0 p90 -127.01 157.1 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 172.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.8 mtm -78.63 169.66 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 110.173 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -62.19 154.2 28.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.337 0.589 . . . . 0.0 111.018 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.76 -24.15 0.4 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.084 1.802 . . . . 0.0 114.275 -176.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.28 173.38 10.28 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 119.055 1.427 . . . . 0.0 111.946 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.7 149.46 25.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.241 1.817 . . . . 0.0 110.311 172.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.443 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 1.6 ttp -64.04 -25.2 68.01 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.651 170.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.84 -8.57 56.15 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.827 -1.17 . . . . 0.0 111.61 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.55 27.8 8.46 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.917 2.087 . . . . 0.0 108.292 173.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.26 131.64 37.31 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.174 1.39 . . . . 0.0 110.604 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.17 161.0 3.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 125.644 1.578 . . . . 0.0 109.877 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 18.8 mt -62.09 125.12 22.76 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.7 tp -51.32 -36.0 40.65 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.907 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -18.1 61.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.844 1.258 . . . . 0.0 112.462 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -79.19 -54.85 5.57 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.402 1.481 . . . . 0.0 107.564 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.6 t -52.26 -40.18 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.251 1.421 . . . . 0.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -44.31 63.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.264 1.425 . . . . 0.0 112.242 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -71.59 -45.98 60.62 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.985 0.914 . . . . 0.0 110.364 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.9 mt -53.93 -50.06 67.28 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.521 0.729 . . . . 0.0 110.507 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.237 0.409 0 C-N-CA 125.038 1.335 . . . . 0.0 111.111 178.134 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.236 0.346 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.92 120.91 21.1 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.873 0.844 . . . . 0.0 110.996 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.03 -27.34 18.69 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.519 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.66 25.98 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.152 0.981 . . . . 0.0 110.285 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 148.32 51.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.526 -1.359 . . . . 0.0 107.41 166.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.11 95.18 4.84 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -137.94 10.12 2.83 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.385 0.674 . . . . 0.0 112.771 -168.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -135.28 155.25 50.93 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.606 1.162 . . . . 0.0 109.288 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.8 mt -131.33 162.45 30.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 127.417 2.287 . . . . 0.0 108.096 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 p90 -149.36 161.89 41.17 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 165.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.51 44.22 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -76.05 168.4 28.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 122.847 0.459 . . . . 0.0 110.097 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.6 -11.07 15.71 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.259 1.973 . . . . 0.0 112.49 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.11 -35.93 74.48 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.007 0.923 . . . . 0.0 109.698 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.38 7.11 3.63 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.503 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.08 133.5 51.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.142 1.377 . . . . 0.0 108.395 -167.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.33 109.11 6.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -86.8 165.16 16.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.351 0.596 . . . . 0.0 109.621 175.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.32 -148.74 18.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.902 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.5 172.09 36.39 Favored 'Cis proline' 0 N--CA 1.453 -0.874 0 C-N-CA 124.144 -1.19 . . . . 0.0 112.648 -2.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -137.4 157.23 47.04 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 125.801 1.641 . . . . 0.0 109.845 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.08 148.78 25.55 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.12 1.768 . . . . 0.0 110.605 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.29 -27.12 67.68 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 118.826 -1.15 . . . . 0.0 110.468 -172.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -64.72 -41.32 96.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.76 0.709 . . . . 0.0 110.181 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -66.09 -53.21 40.91 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.01 -44.54 82.91 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.085 0.402 . . . . 0.0 111.573 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -61.39 -52.68 63.58 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.222 0.609 . . . . 0.0 109.835 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.1 -22.85 67.01 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -83.68 -28.87 28.04 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.942 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -62.92 -44.65 95.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.421 1.009 . . . . 0.0 108.444 166.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.99 -19.49 65.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.591 2.356 . . . . 0.0 111.877 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.86 7.31 28.07 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.918 1.687 . . . . 0.0 111.173 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.84 15.36 5.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.672 1.589 . . . . 0.0 114.975 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -67.98 11.45 0.15 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.854 1.662 . . . . 0.0 112.96 166.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -139.74 158.56 43.91 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.444 1.897 . . . . 0.0 108.333 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -80.74 167.97 19.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 110.177 -176.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -71.67 -31.73 67.1 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.173 -0.955 . . . . 0.0 112.083 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -106.69 39.6 1.81 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.251 1.42 . . . . 0.0 111.372 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -78.2 142.03 38.22 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 120.895 -1.128 . . . . 0.0 111.345 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.46 157.73 31.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.557 -0.714 . . . . 0.0 112.751 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.61 160.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 127.317 2.247 . . . . 0.0 108.793 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.527 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 32.4 p90 -140.51 160.22 40.48 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.718 0.807 . . . . 0.0 108.934 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.8 mtt -71.02 158.22 36.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.499 0.72 . . . . 0.0 111.28 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 p -57.81 138.61 55.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.918 -0.489 . . . . 0.0 110.278 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.83 -31.42 2.78 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 117.772 -1.571 . . . . 0.0 112.929 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.73 168.34 19.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.947 1.874 . . . . 0.0 112.069 -170.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -73.67 126.19 29.76 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 125.365 1.466 . . . . 0.0 110.527 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 20.0 ttm -53.13 -37.51 61.86 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.675 0.79 . . . . 0.0 110.634 163.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.0 -9.15 35.73 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.42 19.57 14.66 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.559 1.072 . . . . 0.0 110.447 172.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.09 160.11 2.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.292 1.437 . . . . 0.0 110.866 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 m -128.01 159.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.867 1.267 . . . . 0.0 109.157 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.15 119.88 9.81 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 tp -48.95 -36.51 17.62 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.943 0.777 . . . . 0.0 110.164 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 p -68.48 -23.6 64.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.845 0.858 . . . . 0.0 112.141 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -29.56 21.7 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.307 -0.871 . . . . 0.0 110.43 171.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.81 -36.08 68.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 O-C-N 120.744 -1.223 . . . . 0.0 109.368 168.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.9 -25.77 68.47 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.216 1.406 . . . . 0.0 113.804 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -81.2 -40.91 23.13 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.348 1.059 . . . . 0.0 110.163 171.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.12 -34.64 78.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.774 0.83 . . . . 0.0 110.214 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 170.616 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.86 138.95 55.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 167.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -133.21 -27.55 1.59 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.634 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.93 -24.99 20.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.96 0.904 . . . . 0.0 111.582 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -88.02 158.13 18.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.11 96.37 9.42 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -134.88 -6.58 2.41 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.73 116.68 31.14 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.11 0.868 . . . . 0.0 110.351 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.6 mt -90.46 155.29 19.02 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -147.36 148.49 31.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.501 0.72 . . . . 0.0 109.257 168.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HE2' ' CE ' ' A' ' 60' ' ' MET . 1.3 tttm -89.32 128.98 35.93 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 171.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 23.7 p30 -81.5 -179.81 1.62 Allowed Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.908 0.883 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 88.6 Cg_endo -80.4 -11.68 13.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.039 1.826 . . . . 0.0 112.986 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.34 -29.52 63.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.83 0.741 . . . . 0.0 109.026 170.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.58 12.46 30.53 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.038 1.78 . . . . 0.0 111.682 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.36 142.73 27.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.135 1.967 . . . . 0.0 107.997 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -74.73 104.35 3.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -90.94 155.16 18.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.689 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.69 -160.02 14.18 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 123.785 0.707 . . . . 0.0 112.412 165.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.73 171.3 68.8 Favored 'Cis proline' 0 N--CA 1.461 -0.436 0 CA-C-N 118.228 1.014 . . . . 0.0 112.668 8.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -138.03 161.82 35.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.368 1.867 . . . . 0.0 110.598 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.05 145.78 46.32 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.917 1.287 . . . . 0.0 108.83 166.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.94 -35.87 71.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -64.43 -37.9 89.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.694 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -63.97 -47.95 78.39 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.561 1.073 . . . . 0.0 110.012 173.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.03 -42.51 85.5 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.083 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -57.32 -51.91 67.49 Favored 'General case' 0 C--O 1.227 -0.081 0 CA-C-O 117.554 -1.212 . . . . 0.0 109.833 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.45 85.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.438 1.017 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.339 0.518 . . . . 0.0 111.185 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -60.64 -43.51 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.155 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.26 -40.08 82.02 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.296 1.838 . . . . 0.0 111.53 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.61 9.03 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.074 1.749 . . . . 0.0 111.487 171.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 58.28 27.39 15.17 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.743 2.017 . . . . 0.0 114.649 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -61.76 -7.12 3.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.203 1.401 . . . . 0.0 113.008 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -131.6 173.52 11.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 126.276 1.83 . . . . 0.0 109.066 -160.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -95.18 166.76 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.442 1.097 . . . . 0.0 108.639 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 7.1 42.81 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 120.81 -1.181 . . . . 0.0 111.809 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -141.37 70.26 1.34 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 155.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -86.68 140.43 29.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.881 0.872 . . . . 0.0 109.307 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.58 160.65 30.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.436 0.695 . . . . 0.0 112.084 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.95 153.8 15.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 126.244 1.818 . . . . 0.0 109.077 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -148.82 157.48 43.47 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.536 0.734 . . . . 0.0 110.925 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 mtt -72.7 162.52 29.38 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 123.185 1.469 . . . . 0.0 112.228 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.2 p -59.48 127.24 31.09 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.942 -1.027 . . . . 0.0 108.963 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -17.77 41.42 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.773 -1.015 . . . . 0.0 113.037 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -66.99 164.89 16.72 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.304 1.552 . . . . 0.0 110.345 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 145.24 37.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.441 ' CE ' ' HE2' ' A' ' 23' ' ' LYS . 47.0 ttm -58.85 -31.44 68.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 167.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.55 -8.5 57.91 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.633 -0.667 . . . . 0.0 112.67 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.8 m -92.46 8.16 39.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.402 1.001 . . . . 0.0 111.607 163.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 164.41 11.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 119.583 1.083 . . . . 0.0 111.216 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.29 161.14 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.836 1.254 . . . . 0.0 109.854 -176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 124.17 23.0 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -52.71 -31.67 38.91 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.832 0.708 . . . . 0.0 111.34 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.24 -41.23 98.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.891 0.853 . . . . 0.0 110.802 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -36.8 72.02 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 121.66 -0.65 . . . . 0.0 109.695 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.4 t -69.81 -31.32 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 124.085 0.954 . . . . 0.0 110.609 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -50.27 74.23 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.684 1.193 . . . . 0.0 109.726 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.42 -47.12 86.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.752 0.821 . . . . 0.0 111.455 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.78 -41.94 95.47 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.472 0.709 . . . . 0.0 111.492 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 CA--C 1.538 0.513 0 O-C-N 121.542 -0.724 . . . . 0.0 110.502 173.402 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 C--O 1.234 0.254 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.64 123.8 27.12 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -95.55 -15.56 22.76 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 116.86 -1.543 . . . . 0.0 112.566 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.8 -50.47 3.84 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 120.332 1.424 . . . . 0.0 111.189 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 161.56 30.85 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.079 0.854 . . . . 0.0 110.892 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -84.17 102.2 12.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -132.31 0.48 3.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -122.64 119.56 31.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.824 0.738 . . . . 0.0 109.72 -171.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.6 mt -93.67 164.45 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 126.745 2.018 . . . . 0.0 109.598 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.68 161.53 42.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.453 0.701 . . . . 0.0 109.754 163.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -101.72 139.32 37.53 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.806 1.242 . . . . 0.0 109.91 165.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 0.9 OUTLIER -109.47 174.52 2.36 Favored Pre-proline 0 C--O 1.24 0.574 0 C-N-CA 123.844 0.858 . . . . 0.0 109.715 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 56.4 Cg_endo -80.24 45.02 1.85 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 125.184 3.923 . . . . 0.0 110.09 175.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -124.25 -18.68 5.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 129.729 3.212 . . . . 0.0 108.989 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.67 13.55 80.31 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 124.149 0.881 . . . . 0.0 112.532 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.56 149.21 21.78 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 163.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -78.95 141.68 15.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 159.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -118.59 166.64 12.47 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.749 0.785 . . . . 0.0 110.476 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.27 -163.51 37.59 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.114 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.76 168.45 76.17 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.854 -1.311 . . . . 0.0 114.609 21.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.32 160.82 37.2 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.89 2.076 . . . . 0.0 109.087 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.2 p -92.41 155.72 17.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.96 0.904 . . . . 0.0 110.935 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.67 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.7 m -62.99 -48.15 80.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.001 0.818 . . . . 0.0 109.393 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.02 -50.45 73.69 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 122.512 0.325 . . . . 0.0 110.134 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.6 mt -63.52 -42.46 98.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.691 0.397 . . . . 0.0 111.438 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -54.32 -52.69 60.74 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.206 1.002 . . . . 0.0 110.36 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.43 78.37 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.528 0.731 . . . . 0.0 112.723 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -77.25 -34.24 55.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.987 0.915 . . . . 0.0 111.655 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -59.47 -46.02 89.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -48.13 79.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.419 1.088 . . . . 0.0 110.804 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.86 11.83 0.34 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.249 1.82 . . . . 0.0 114.027 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 51.97 37.21 20.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.149 1.779 . . . . 0.0 112.206 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.39 -36.56 66.05 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.827 -1.171 . . . . 0.0 110.109 162.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -110.33 -171.13 1.77 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.779 0.831 . . . . 0.0 111.233 -167.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -134.42 165.18 25.76 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.763 0.825 . . . . 0.0 109.587 -169.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -62.55 -8.24 6.03 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.549 1.94 . . . . 0.0 113.394 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -126.23 24.14 6.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.617 1.567 . . . . 0.0 109.538 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -82.98 142.33 31.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.799 1.24 . . . . 0.0 108.719 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.14 160.06 35.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 111.764 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -140.39 150.03 21.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 110.653 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.453 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 31.9 p90 -131.44 159.26 38.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.606 1.163 . . . . 0.0 110.238 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.0 mtt -77.28 157.78 30.57 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.142 0.496 . . . . 0.0 110.691 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.7 p -61.19 119.24 8.02 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.55 -0.719 . . . . 0.0 111.714 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.41 -10.3 75.15 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.313 0.959 . . . . 0.0 112.792 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.8 165.15 23.04 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 118.502 1.151 . . . . 0.0 108.82 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -83.57 152.21 24.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.404 0.621 . . . . 0.0 109.632 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 22.5 ttm -60.89 -28.44 68.89 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.088 1.355 . . . . 0.0 112.31 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -29.84 70.44 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.255 -1.528 . . . . 0.0 110.428 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -75.51 2.18 12.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.417 1.487 . . . . 0.0 111.332 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 147.54 53.23 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 120.5 -1.375 . . . . 0.0 110.453 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.03 161.84 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.858 1.263 . . . . 0.0 108.724 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.9 120.71 10.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 108.316 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.25 -31.24 53.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.08 0.552 . . . . 0.0 110.361 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 p -67.22 -23.33 65.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.998 0.919 . . . . 0.0 111.998 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.98 -37.67 16.18 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 173.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.76 -30.68 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.204 0.911 . . . . 0.0 111.011 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -47.63 85.11 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 120.903 -1.123 . . . . 0.0 110.832 170.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -60.94 -46.83 89.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.872 -1.142 . . . . 0.0 110.27 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.66 0.16 5.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.918 1.287 . . . . 0.0 112.917 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 169.103 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.65 123.32 47.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -101.73 9.36 41.01 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.574 0.75 . . . . 0.0 112.498 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.1 -72.46 0.67 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.32 144.12 57.22 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.315 0.578 . . . . 0.0 111.603 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.699 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.49 120.31 12.64 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 166.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -149.01 5.71 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -124.16 127.86 48.39 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.361 1.064 . . . . 0.0 108.917 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.01 159.93 14.8 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 127.601 2.36 . . . . 0.0 108.352 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -155.35 166.33 33.87 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.79 126.86 51.22 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.124 1.37 . . . . 0.0 108.407 169.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 169.34 16.45 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 118.66 0.664 . . . . 0.0 109.405 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.97 -24.51 19.43 Favored 'Trans proline' 0 C--N 1.349 0.584 1 C-N-CA 125.526 4.151 . . . . 0.0 114.158 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.98 -17.46 64.69 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.132 1.373 . . . . 0.0 112.128 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.97 -12.07 68.71 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.729 1.157 . . . . 0.0 112.475 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.55 134.52 43.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.659 1.229 . . . . 0.0 107.846 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.95 136.63 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 158.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.4 162.02 18.61 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.83 -165.15 13.29 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 163.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.13 171.14 69.6 Favored 'Cis proline' 0 CA--C 1.535 0.531 0 C-N-CA 124.996 -0.835 . . . . 0.0 114.234 12.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.95 167.69 20.47 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.334 1.854 . . . . 0.0 109.473 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -87.2 157.52 19.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.95 -36.26 74.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.615 -0.707 . . . . 0.0 111.152 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -65.23 -46.92 78.67 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.927 1.291 . . . . 0.0 111.219 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -62.47 -46.05 90.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.692 0.678 . . . . 0.0 109.551 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.16 -43.97 96.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.474 0.71 . . . . 0.0 110.479 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -56.31 -46.25 79.93 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.821 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.01 83.66 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.567 0.622 . . . . 0.0 111.619 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -59.14 -36.31 75.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.73 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 t -62.66 -45.73 91.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.598 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.9 -13.43 59.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.537 0.608 . . . . 0.0 111.878 -171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.54 47.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.697 1.599 . . . . 0.0 112.108 167.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 52.4 52.43 14.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.466 2.306 . . . . 0.0 113.423 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.97 11.48 6.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.208 1.403 . . . . 0.0 113.02 167.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -122.74 -161.92 0.98 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.249 1.42 . . . . 0.0 111.444 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 p -128.67 162.28 27.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.619 1.168 . . . . 0.0 109.535 -171.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -1.43 3.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -144.08 48.74 1.38 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.43 1.468 . . . . 0.0 108.225 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -84.17 136.15 34.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.513 0.673 . . . . 0.0 109.871 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 162.92 28.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.329 1.051 . . . . 0.0 111.271 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 150.18 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.424 1.49 . . . . 0.0 107.673 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.9 p90 -129.06 157.43 41.76 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.5 mtt -72.67 165.89 23.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 122.108 0.956 . . . . 0.0 110.691 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -59.1 155.72 13.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.488 0.661 . . . . 0.0 109.809 168.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.57 -26.18 0.48 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.458 1.028 . . . . 0.0 114.525 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.12 162.24 25.95 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.612 1.706 . . . . 0.0 112.202 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.2 t -73.0 155.51 39.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.111 0.964 . . . . 0.0 108.739 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.49 -33.57 69.94 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.354 0.662 . . . . 0.0 111.086 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -30.34 70.27 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.403 -0.811 . . . . 0.0 110.988 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -75.33 4.98 6.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.818 2.047 . . . . 0.0 112.339 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 149.55 48.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.771 -1.205 . . . . 0.0 110.175 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.53 160.18 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 125.406 1.482 . . . . 0.0 109.306 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.72 129.18 40.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.37 -32.43 62.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.934 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 p -67.1 -31.96 72.79 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.606 -0.684 . . . . 0.0 111.814 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.17 -47.55 42.87 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -42.74 73.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.459 1.104 . . . . 0.0 111.638 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -46.68 87.75 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.348 1.059 . . . . 0.0 111.485 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -51.67 69.03 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.377 1.071 . . . . 0.0 109.7 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.17 -32.16 73.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.614 0.643 . . . . 0.0 111.901 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.73 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.69 98.89 2.01 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 122.142 0.972 . . . . 0.0 110.6 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -93.18 -6.62 47.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 117.818 -1.086 . . . . 0.0 111.863 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -124.79 -15.86 6.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 120.448 1.476 . . . . 0.0 114.064 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -109.19 151.44 26.48 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.079 1.308 . . . . 0.0 109.005 171.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.652 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.86 99.4 4.47 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -131.56 -11.2 3.54 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -104.49 115.15 29.85 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.582 1.083 . . . . 0.0 109.791 -171.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.08 154.89 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.701 1.601 . . . . 0.0 107.496 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 21.1 p90 -140.54 160.9 39.0 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 165.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -101.08 148.71 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 162.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.0 OUTLIER -119.44 178.39 1.11 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.098 0.959 . . . . 0.0 109.146 -176.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 69.8 Cg_endo -71.43 -11.63 28.63 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.638 2.892 . . . . 0.0 111.563 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -64.57 -22.12 66.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.523 1.129 . . . . 0.0 110.482 168.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.48 -6.94 74.94 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 126.618 2.056 . . . . 0.0 112.81 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.29 140.26 43.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.748 1.274 . . . . 0.0 108.528 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.68 134.56 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 152.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -120.14 170.38 9.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.83 1.652 . . . . 0.0 109.03 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -161.32 31.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.17 170.86 70.4 Favored 'Cis proline' 0 N--CA 1.452 -0.914 0 CA-C-N 118.402 1.101 . . . . 0.0 112.568 15.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CE2' ' CE2' ' A' ' 22' ' ' TYR . 74.6 m-85 -140.05 160.43 39.94 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.459 1.903 . . . . 0.0 108.753 -172.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.4 p -86.34 153.59 21.84 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.006 0.432 . . . . 0.0 110.61 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.21 -24.59 67.95 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 m -76.46 -37.0 57.58 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.672 1.124 . . . . 0.0 110.728 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HB3' ' CH2' ' A' ' 41' ' ' TRP . 61.1 mt-30 -57.61 -49.98 74.64 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.89 -35.73 79.23 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.578 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.46 -53.6 55.57 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.467 1.03 . . . . 0.0 110.305 170.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.0 86.17 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.721 0.692 . . . . 0.0 111.348 -174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 37' ' ' GLN . 21.2 m0 -67.0 -41.17 87.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 122.54 0.336 . . . . 0.0 110.846 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.35 -38.02 89.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 110.903 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.06 -29.42 70.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 126.181 1.792 . . . . 0.0 111.125 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.16 11.34 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.828 1.651 . . . . 0.0 112.682 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 52.65 31.0 9.47 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.165 1.786 . . . . 0.0 113.88 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.27 -31.63 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.425 -0.797 . . . . 0.0 110.462 168.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CD1' ' CE2' ' A' ' 51' ' ' PHE . 18.5 m-85 -124.04 167.09 14.65 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.757 1.223 . . . . 0.0 110.188 -162.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 p -108.41 174.66 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.145 1.378 . . . . 0.0 110.108 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -68.35 -5.08 16.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.485 1.114 . . . . 0.0 113.776 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.93 31.17 5.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.043 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 47' ' ' PHE . 38.1 t80 -86.09 103.21 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.096 -1.002 . . . . 0.0 109.122 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.72 159.2 19.23 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 120.64 -1.287 . . . . 0.0 112.116 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.18 154.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 127.077 2.151 . . . . 0.0 108.305 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 25.1 p90 -141.85 156.06 45.54 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.838 0.855 . . . . 0.0 108.89 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.9 mtt -73.09 157.39 37.38 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.4 p -61.58 150.53 35.87 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.86 -27.74 4.77 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.947 -0.918 . . . . 0.0 112.149 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -94.26 169.69 10.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.439 1.62 . . . . 0.0 110.958 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 122.58 1.181 . . . . 0.0 110.423 -174.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 31.5 ttm -74.8 -34.02 62.33 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.951 1.3 . . . . 0.0 111.255 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.06 -38.77 90.04 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.549 -0.719 . . . . 0.0 110.362 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 t -72.9 -3.53 26.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.701 2.001 . . . . 0.0 112.49 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.74 144.01 55.34 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 120.186 1.357 . . . . 0.0 111.004 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.6 m -107.25 166.86 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 126.367 1.867 . . . . 0.0 108.779 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.75 133.63 38.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.57 -1.331 . . . . 0.0 109.173 -177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.26 -33.46 69.42 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.702 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -34.46 78.42 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.766 1.167 . . . . 0.0 111.757 178.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -53.3 19.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.908 0.883 . . . . 0.0 108.875 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.79 -27.15 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 122.592 0.357 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.11 87.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.709 1.204 . . . . 0.0 111.571 170.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -66.92 -46.66 74.12 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.358 173.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.13 -52.43 55.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.24 0.616 . . . . 0.0 110.549 -174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 CA--C 1.538 0.493 0 O-C-N 120.595 -1.315 . . . . 0.0 109.885 170.505 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -79.63 98.2 6.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -99.93 -18.05 17.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.235 -1.364 . . . . 0.0 112.84 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -120.25 12.27 11.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.197 1.362 . . . . 0.0 112.051 -173.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -127.71 151.39 49.03 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 165.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.29 93.21 1.46 Allowed 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 125.411 1.484 . . . . 0.0 109.4 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.67 3.53 4.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -128.27 121.42 29.27 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.871 0.76 . . . . 0.0 110.535 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.1 mt -90.86 159.78 16.07 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 127.855 2.462 . . . . 0.0 109.18 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 14.9 p90 -149.69 165.77 31.35 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.889 0.476 . . . . 0.0 110.507 165.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.58 120.59 42.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.024 1.329 . . . . 0.0 110.012 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.2 t0 -76.11 -178.9 1.0 Allowed Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.441 1.096 . . . . 0.0 108.745 173.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 16.7 Cg_endo -86.24 40.38 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.626 3.551 . . . . 0.0 109.771 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -120.12 -5.22 10.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.675 1.59 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 0.88 63.01 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.135 1.826 . . . . 0.0 113.709 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.41 128.27 34.66 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.122 1.769 . . . . 0.0 107.816 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.98 128.35 26.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 155.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -104.67 160.0 15.32 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.181 0.993 . . . . 0.0 108.636 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.61 -162.99 14.73 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 124.302 0.954 . . . . 0.0 112.127 168.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.96 167.76 77.66 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.777 -0.926 . . . . 0.0 113.184 10.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -134.61 155.02 51.21 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.808 2.043 . . . . 0.0 108.419 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 147.46 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 167.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.51 -31.74 69.65 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.982 -0.449 . . . . 0.0 110.86 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -59.47 -46.78 87.82 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.218 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.97 -42.75 89.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.958 0.503 . . . . 0.0 111.316 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -41.81 98.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 110.695 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -59.88 -46.28 89.82 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 118.713 0.688 . . . . 0.0 110.287 173.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.06 82.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.2 0.455 . . . . 0.0 111.7 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -67.96 -44.52 76.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.196 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -40.82 88.44 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 109.287 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -30.6 53.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.852 2.061 . . . . 0.0 111.868 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.3 2.67 39.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.638 1.975 . . . . 0.0 112.515 -172.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 71.45 20.06 4.99 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.567 2.347 . . . . 0.0 113.278 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -69.63 -2.99 13.14 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.632 -1.292 . . . . 0.0 113.753 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -131.93 -179.4 5.38 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.904 2.481 . . . . 0.0 108.938 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.6 p -105.51 164.28 12.01 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.653 1.581 . . . . 0.0 110.129 -172.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -70.13 7.57 0.95 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.676 1.19 . . . . 0.0 113.801 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.06 28.44 1.72 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.245 1.818 . . . . 0.0 109.864 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.65 143.62 34.49 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.923 -1.11 . . . . 0.0 111.12 -169.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -125.08 164.99 19.01 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.185 0.994 . . . . 0.0 112.76 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.69 157.16 29.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 126.31 1.844 . . . . 0.0 108.819 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.486 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 29.8 p90 -137.78 159.86 40.83 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 171.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.74 156.22 38.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.045 1.338 . . . . 0.0 111.006 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 p -54.13 102.46 0.06 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.582 1.153 . . . . 0.0 109.809 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.34 -5.7 59.06 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 117.29 -1.839 . . . . 0.0 114.382 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.41 168.17 19.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 120.231 2.015 . . . . 0.0 110.094 170.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.93 138.54 36.12 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 123.497 0.719 . . . . 0.0 109.653 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 29.8 ttm -58.59 -26.31 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.836 1.254 . . . . 0.0 113.586 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.62 -17.48 61.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 118.115 -0.945 . . . . 0.0 112.821 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 m -95.73 15.5 19.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.036 1.734 . . . . 0.0 111.555 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 131.42 46.26 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.87 -1.144 . . . . 0.0 110.583 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -96.6 160.77 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 124.275 1.03 . . . . 0.0 109.515 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 120.34 9.31 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 124.587 1.155 . . . . 0.0 108.144 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.5 tp -53.44 -33.72 55.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.385 171.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -32.53 71.65 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.684 0.674 . . . . 0.0 111.936 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.08 -47.32 71.6 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.376 -0.827 . . . . 0.0 109.101 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.24 -39.82 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.093 1.357 . . . . 0.0 110.578 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.15 -37.97 78.6 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.465 1.106 . . . . 0.0 112.082 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -65.28 -58.63 5.47 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.87 -48.46 79.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.329 0.652 . . . . 0.0 112.682 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.8 m . . . . . 0 N--CA 1.444 -0.758 0 C-N-CA 125.083 1.353 . . . . 0.0 111.641 179.32 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -65.77 119.83 11.93 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -101.12 -15.49 17.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.276 -1.345 . . . . 0.0 112.358 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.52 -40.66 12.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.391 0.996 . . . . 0.0 109.722 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -85.27 157.15 20.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.593 0.558 . . . . 0.0 110.665 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.33 83.34 6.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -119.09 4.59 11.34 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -171.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -129.08 145.67 51.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.562 0.745 . . . . 0.0 109.754 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -124.58 156.48 37.34 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.018 2.127 . . . . 0.0 107.533 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -144.46 150.92 38.42 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 170.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -95.12 123.18 38.47 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 8.8 p30 -77.87 177.21 2.89 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.454 1.101 . . . . 0.0 110.848 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.7 Cg_endo -83.07 -0.73 10.11 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.036 2.491 . . . . 0.0 114.01 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -82.17 -36.1 27.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 119.563 1.074 . . . . 0.0 109.09 169.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.6 19.45 4.53 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.207 -1.329 . . . . 0.0 112.253 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.49 144.04 38.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 119.76 1.78 . . . . 0.0 108.292 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -83.76 111.85 20.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -87.78 166.57 14.51 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.9 -161.95 21.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 172.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.88 164.77 86.69 Favored 'Cis proline' 0 N--CA 1.455 -0.771 0 C-N-CA 124.507 -1.039 . . . . 0.0 113.14 10.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -132.58 159.87 38.26 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.192 1.397 . . . . 0.0 108.201 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -82.03 149.57 28.04 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.485 1.114 . . . . 0.0 109.618 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.33 -33.36 71.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.913 0.778 . . . . 0.0 110.43 175.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.2 m -62.19 -29.44 70.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.337 0.655 . . . . 0.0 111.934 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -80.24 -50.98 9.48 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 119.235 0.925 . . . . 0.0 109.221 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.77 -42.96 80.31 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.911 0.884 . . . . 0.0 110.319 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -57.34 -54.64 44.54 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.827 0.851 . . . . 0.0 111.053 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.78 79.25 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 123.423 0.452 . . . . 0.0 111.442 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.2 m0 -64.96 -44.32 89.77 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.754 0.822 . . . . 0.0 110.213 170.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t -63.48 -36.91 85.32 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.375 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.3 -50.51 73.72 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 119.288 0.949 . . . . 0.0 109.454 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.89 13.45 0.15 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.233 1.813 . . . . 0.0 113.724 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 70.27 4.96 5.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.862 2.465 . . . . 0.0 114.97 168.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.88 9.14 0.1 Allowed 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -172.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -126.5 178.9 5.59 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.609 1.564 . . . . 0.0 110.894 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.8 p -101.61 167.56 10.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.419 1.488 . . . . 0.0 110.43 -169.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -63.84 -24.63 67.83 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.752 -1.217 . . . . 0.0 112.31 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -129.75 57.93 1.66 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -82.27 115.19 21.23 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.029 0.932 . . . . 0.0 108.511 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -97.72 167.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 119.113 0.869 . . . . 0.0 111.399 169.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.12 157.06 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 126.204 1.802 . . . . 0.0 107.748 169.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.44 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 18.6 p90 -136.81 164.45 28.25 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.1 mtt -78.14 160.32 28.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.288 0.566 . . . . 0.0 110.438 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -61.35 144.49 53.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.409 0.684 . . . . 0.0 109.554 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.11 -9.78 17.74 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.957 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -89.85 176.37 6.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 119.246 1.523 . . . . 0.0 111.588 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.57 128.42 33.36 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.348 2.259 . . . . 0.0 109.223 175.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.555 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 38.2 ttm -56.66 -41.09 76.63 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.947 0.499 . . . . 0.0 110.507 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.1 -22.76 66.07 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.088 -1.008 . . . . 0.0 112.453 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -83.91 5.02 26.94 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.983 1.265 . . . . 0.0 112.491 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.28 148.66 11.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.426 1.012 . . . . 0.0 111.537 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.9 160.08 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 125.695 1.598 . . . . 0.0 109.537 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 123.63 20.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.966 1.307 . . . . 0.0 108.077 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 67.4 tp -53.29 -31.06 42.04 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.798 0.439 . . . . 0.0 112.116 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 p -72.28 -20.96 61.43 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.873 0.76 . . . . 0.0 111.287 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.8 -39.56 19.84 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.908 1.283 . . . . 0.0 108.784 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.95 -34.26 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.808 -0.558 . . . . 0.0 110.494 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -56.38 19.07 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.3 169.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -58.27 -40.9 83.06 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.414 1.086 . . . . 0.0 111.747 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.09 -43.93 97.14 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 111.281 179.286 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.504 0.669 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -72.21 99.31 2.33 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.989 1.716 . . . . 0.0 108.91 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -112.36 -17.57 12.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.121 -0.987 . . . . 0.0 113.028 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -115.27 1.16 13.72 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.742 1.217 . . . . 0.0 112.1 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 162.85 15.84 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 166.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -82.83 103.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -137.37 1.83 2.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -128.33 119.77 25.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 118.928 0.786 . . . . 0.0 110.663 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -90.85 156.74 17.79 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.136 2.174 . . . . 0.0 108.607 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -151.34 157.39 42.42 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 171.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -98.3 116.99 31.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.248 1.419 . . . . 0.0 108.778 169.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 175.79 4.4 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 164.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.47 -10.94 20.63 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.808 2.338 . . . . 0.0 113.461 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -27.42 68.88 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.668 1.122 . . . . 0.0 111.041 165.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.12 -0.74 66.82 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.61 -1.106 . . . . 0.0 112.954 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.27 135.31 55.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.903 1.352 . . . . 0.0 107.58 166.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.01 94.36 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 166.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -75.86 164.66 25.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.713 0.768 . . . . 0.0 109.092 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.49 -168.23 30.58 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.155 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.92 167.49 74.86 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 124.56 -1.017 . . . . 0.0 113.728 19.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.26 162.05 34.08 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.021 1.728 . . . . 0.0 109.784 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.32 144.87 32.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.195 0.998 . . . . 0.0 109.624 168.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.6 -29.47 70.72 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.583 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -65.01 -36.72 85.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.632 1.106 . . . . 0.0 109.745 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.6 -48.84 68.26 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.4 0.545 . . . . 0.0 110.578 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.14 -37.74 86.3 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.732 -0.605 . . . . 0.0 111.343 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -62.06 -48.7 79.05 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.464 1.105 . . . . 0.0 110.049 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.05 78.67 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.245 0.93 . . . . 0.0 111.038 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -75.91 -28.76 58.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.742 1.217 . . . . 0.0 112.06 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -65.12 -30.72 71.68 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.813 165.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.17 -13.31 59.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.806 1.243 . . . . 0.0 112.597 178.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.8 -2.08 20.31 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.227 1.811 . . . . 0.0 111.695 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 51.73 68.73 0.76 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.826 2.05 . . . . 0.0 112.056 -170.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -105.31 11.2 33.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.089 1.356 . . . . 0.0 111.038 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -143.07 155.43 44.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.478 1.511 . . . . 0.0 109.401 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -81.91 172.01 13.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.969 -163.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -17.68 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 170.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -142.19 48.6 1.57 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.501 1.046 . . . . 0.0 108.62 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -83.05 146.16 28.88 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.202 -0.936 . . . . 0.0 111.246 -168.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -127.18 158.77 36.2 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.695 0.798 . . . . 0.0 112.056 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.32 158.65 28.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 126.271 1.828 . . . . 0.0 108.266 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -137.46 160.23 39.7 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.317 0.647 . . . . 0.0 109.607 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.44 158.74 35.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.708 0.766 . . . . 0.0 110.943 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -49.45 121.48 5.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.196 0.999 . . . . 0.0 109.434 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.66 -23.87 28.61 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 125.05 1.309 . . . . 0.0 113.127 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.33 166.49 21.27 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 118.768 1.284 . . . . 0.0 112.721 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.51 145.86 50.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 165.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.6 ttm -57.9 -29.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.813 1.292 . . . . 0.0 110.848 170.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 126.302 1.841 . . . . 0.0 110.499 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.7 m -72.54 -3.44 24.56 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.005 0.922 . . . . 0.0 113.305 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 140.89 56.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.349 0.977 . . . . 0.0 110.962 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.69 163.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.556 1.942 . . . . 0.0 108.757 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.83 126.68 30.19 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.48 -37.36 25.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.688 170.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -26.53 66.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.4 0.68 . . . . 0.0 112.523 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.26 -39.05 23.53 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 109.637 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.69 -35.45 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 121.087 -1.008 . . . . 0.0 109.793 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -27.25 67.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.133 1.373 . . . . 0.0 112.294 169.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -61.48 1.96 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.238 0.926 . . . . 0.0 108.64 168.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.3 -27.58 68.58 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.944 1.297 . . . . 0.0 112.611 -164.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 125.04 1.336 . . . . 0.0 108.501 175.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.46 99.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.889 -169.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -89.13 -21.59 23.28 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.932 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -95.74 -53.55 3.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 119.913 1.233 . . . . 0.0 109.268 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.31 159.92 28.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.697 0.68 . . . . 0.0 111.357 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.756 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.97 109.24 5.67 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 171.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.06 6.75 1.57 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -128.11 120.66 27.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.179 0.991 . . . . 0.0 108.989 -174.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 mt -90.57 162.99 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 126.837 2.055 . . . . 0.0 108.854 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -148.37 162.85 38.72 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.749 -0.595 . . . . 0.0 110.004 165.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 5.0 ttmt -102.44 134.25 46.06 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.613 1.165 . . . . 0.0 108.082 169.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.37 174.25 4.59 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.012 0.925 . . . . 0.0 110.587 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.09 -7.22 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.903 2.402 . . . . 0.0 112.574 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.41 -13.5 46.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.437 1.495 . . . . 0.0 110.255 167.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.94 9.85 67.4 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 128.764 3.078 . . . . 0.0 113.381 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.22 137.8 43.29 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.93 145.12 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 160.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -129.98 159.8 35.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.019 1.328 . . . . 0.0 108.309 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.68 -158.79 20.32 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.707 167.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.7 170.0 72.73 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 CA-C-O 122.712 1.047 . . . . 0.0 113.319 9.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.09 165.29 25.4 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.586 1.954 . . . . 0.0 107.967 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -97.29 154.97 17.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.957 0.903 . . . . 0.0 110.865 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -25.22 66.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 118.956 -0.545 . . . . 0.0 112.36 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -66.91 -51.27 57.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.54 -48.65 76.83 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 123.621 0.769 . . . . 0.0 110.753 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.48 -40.93 96.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.303 -0.855 . . . . 0.0 111.456 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -60.0 -49.48 77.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.525 1.057 . . . . 0.0 109.729 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.52 78.38 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 123.686 0.616 . . . . 0.0 110.603 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -70.78 -31.64 68.49 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -62.72 -38.65 91.32 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.226 0.921 . . . . 0.0 109.269 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -79.25 -46.28 18.13 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.608 1.163 . . . . 0.0 110.475 -174.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.21 7.26 2.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.027 1.731 . . . . 0.0 113.18 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 55.18 44.23 28.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.879 2.072 . . . . 0.0 114.343 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -78.67 -13.34 59.87 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.304 -0.872 . . . . 0.0 112.144 164.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -116.87 -158.79 0.71 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.293 1.837 . . . . 0.0 108.543 -167.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.4 p -125.06 160.3 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.872 0.869 . . . . 0.0 109.447 -171.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -68.62 2.32 2.54 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -136.07 31.21 2.98 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.332 1.853 . . . . 0.0 108.386 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -79.08 102.77 8.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.237 -0.914 . . . . 0.0 108.68 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.57 165.94 15.81 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.232 -0.917 . . . . 0.0 109.695 168.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.01 154.83 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 127.116 2.166 . . . . 0.0 107.68 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -134.37 155.84 49.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.4 mtt -73.18 158.97 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.609 1.195 . . . . 0.0 111.215 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.21 101.26 0.28 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.858 1.663 . . . . 0.0 110.757 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.77 13.92 51.61 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.655 -1.081 . . . . 0.0 112.367 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.57 170.66 9.31 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 119.366 1.583 . . . . 0.0 109.698 163.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -75.18 144.17 42.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.523 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 55.8 ttm -62.51 -32.7 73.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.444 0.64 . . . . 0.0 110.708 169.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.01 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.785 -1.197 . . . . 0.0 110.705 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -81.17 10.25 5.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.098 0.863 . . . . 0.0 112.372 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 123.4 18.14 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.221 0.918 . . . . 0.0 110.366 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -96.05 164.3 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 124.88 1.272 . . . . 0.0 107.591 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.73 132.8 49.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 tp -55.3 -38.91 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 164.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -69.1 -23.34 64.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.683 0.674 . . . . 0.0 111.422 -178.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.93 -54.31 8.21 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.211 0.914 . . . . 0.0 108.826 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.04 -34.0 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.442 1.097 . . . . 0.0 111.193 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -27.24 63.2 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.032 1.733 . . . . 0.0 113.042 173.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -93.76 -39.11 10.93 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.636 1.574 . . . . 0.0 110.818 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.99 -52.3 65.6 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 119.235 0.925 . . . . 0.0 109.84 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 124.05 0.94 . . . . 0.0 108.778 170.422 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--O 1.237 0.418 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.83 124.93 30.77 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 168.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -92.55 -4.71 53.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.278 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -114.52 -48.55 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.421 1.488 . . . . 0.0 108.596 -171.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.36 143.09 57.37 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.283 1.401 . . . . 0.0 110.4 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.67 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -77.92 93.74 4.46 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.714 1.206 . . . . 0.0 108.072 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -131.5 0.27 4.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -168.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -125.83 130.84 52.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.754 0.822 . . . . 0.0 109.31 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -108.22 157.91 17.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 126.004 1.722 . . . . 0.0 108.624 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -140.52 154.64 46.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 163.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -93.25 128.29 39.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 166.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -82.4 167.95 26.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 O-C-N 123.103 0.252 . . . . 0.0 110.497 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.16 -16.09 43.88 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.131 2.554 . . . . 0.0 114.865 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.53 -19.33 62.91 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 119.876 1.216 . . . . 0.0 110.065 172.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 33.12 5.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 125.249 1.404 . . . . 0.0 111.068 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.01 137.94 54.62 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.711 1.605 . . . . 0.0 108.362 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.07 116.17 23.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 169.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -95.48 161.16 14.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.759 0.823 . . . . 0.0 109.136 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.02 -153.41 19.45 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.422 -0.655 . . . . 0.0 112.341 169.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.71 166.98 81.57 Favored 'Cis proline' 0 N--CA 1.457 -0.62 0 CA-C-N 118.645 1.222 . . . . 0.0 111.796 4.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 165.15 25.99 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 126.542 1.937 . . . . 0.0 109.085 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 p -80.69 161.4 24.63 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.18 -22.08 62.99 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.93 -1.106 . . . . 0.0 110.823 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -72.17 -39.71 68.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 109.513 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.1 -52.27 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.19 -45.08 94.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 112.222 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.65 91.49 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.03 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.02 83.13 Favored 'General case' 0 CA--C 1.526 0.058 0 CA-C-N 119.301 0.955 . . . . 0.0 111.506 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -67.7 -36.62 80.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.208 0.603 . . . . 0.0 112.218 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -69.83 -39.11 76.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.118 0.872 . . . . 0.0 109.999 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -57.97 -46.63 84.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.563 1.145 . . . . 0.0 107.917 173.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -3.21 12.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.096 1.759 . . . . 0.0 113.868 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 63.22 26.92 15.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.693 1.997 . . . . 0.0 113.488 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.35 -49.15 78.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 122.092 0.948 . . . . 0.0 108.918 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -92.59 172.19 8.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.029 1.332 . . . . 0.0 110.678 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.436 ' H ' ' HB2' ' A' ' 51' ' ' PHE . 73.0 p -112.45 167.11 10.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.609 0.719 . . . . 0.0 111.339 -157.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -65.72 -1.5 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.49 1.516 . . . . 0.0 113.383 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -143.52 40.1 1.43 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.161 1.346 . . . . 0.0 109.764 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.436 ' HB2' ' H ' ' A' ' 48' ' ' THR . 12.9 t80 -77.67 150.49 34.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -133.44 160.35 37.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.432 1.093 . . . . 0.0 112.434 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.69 157.88 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.724 1.61 . . . . 0.0 108.969 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.422 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 13.1 p90 -135.22 159.89 40.12 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.277 1.031 . . . . 0.0 108.716 173.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.0 mtt -75.06 156.55 36.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.435 0.636 . . . . 0.0 110.679 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -60.78 143.53 54.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.973 -0.455 . . . . 0.0 110.101 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.49 6.33 86.56 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.614 -1.103 . . . . 0.0 113.567 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -115.76 167.05 11.27 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.951 1.376 . . . . 0.0 109.004 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 148.82 33.72 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.299 1.439 . . . . 0.0 110.182 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.551 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 31.9 ttm -63.36 -32.2 73.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.894 177.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.28 -25.95 65.41 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.642 -0.662 . . . . 0.0 111.513 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.6 m -80.61 8.52 7.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.168 0.987 . . . . 0.0 112.507 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.59 136.88 58.18 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 119.934 1.243 . . . . 0.0 110.518 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -96.98 164.07 2.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.022 1.729 . . . . 0.0 108.956 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.79 122.74 19.21 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.89 -33.55 62.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.06 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 p -66.55 -24.88 66.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.313 0.645 . . . . 0.0 112.332 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -73.3 -55.5 6.33 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.68 -39.22 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.537 1.535 . . . . 0.0 111.48 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -49.9 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.695 0.798 . . . . 0.0 111.269 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.31 -41.34 96.88 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 123.136 0.574 . . . . 0.0 110.96 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.89 -37.74 83.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.814 0.734 . . . . 0.0 109.172 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.563 1.545 . . . . 0.0 112.199 171.871 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.37 98.13 8.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -165.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -115.42 -34.41 4.94 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.354 -167.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.28 -11.27 22.78 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.992 0.808 . . . . 0.0 110.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -109.35 143.0 39.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.501 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -70.95 117.19 12.14 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 119.55 1.068 . . . . 0.0 108.483 174.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.56 10.55 0.65 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -126.3 133.83 51.3 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.352 1.061 . . . . 0.0 109.658 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.64 147.29 32.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 126.242 1.817 . . . . 0.0 108.441 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -138.54 141.92 39.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.418 1.087 . . . . 0.0 108.959 170.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.16 122.43 31.72 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -65.13 166.16 14.03 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.616 -0.677 . . . . 0.0 109.204 172.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -76.13 -13.09 19.24 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 120.865 1.043 . . . . 0.0 111.954 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.0 -20.93 62.35 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.151 1.38 . . . . 0.0 111.129 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 -1.02 12.77 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.367 1.46 . . . . 0.0 113.08 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.99 136.99 39.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.534 1.534 . . . . 0.0 110.099 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.88 96.91 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -84.14 172.11 12.23 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.466 0.706 . . . . 0.0 110.737 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.91 -157.03 25.89 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.71 170.66 68.0 Favored 'Cis proline' 0 N--CA 1.458 -0.593 0 CA-C-N 118.178 0.989 . . . . 0.0 113.042 6.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -133.96 160.89 36.34 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.944 1.697 . . . . 0.0 110.139 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 147.11 28.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.962 1.705 . . . . 0.0 108.389 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.68 -34.06 73.78 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 121.728 -0.608 . . . . 0.0 111.347 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -66.14 -37.62 86.13 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.496 0.589 . . . . 0.0 110.614 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.15 -47.89 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.483 0.583 . . . . 0.0 109.471 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.35 -42.62 91.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.542 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -57.22 -59.74 4.65 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.219 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.26 67.75 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.073 0.852 . . . . 0.0 111.716 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.27 -44.13 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.097 0.959 . . . . 0.0 111.289 175.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.28 74.07 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.193 0.906 . . . . 0.0 110.672 170.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.41 -2.02 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 129.375 3.07 . . . . 0.0 112.811 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.53 8.49 13.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.222 1.809 . . . . 0.0 112.079 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 57.95 38.78 26.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.762 2.025 . . . . 0.0 113.223 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -73.91 -29.14 61.89 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.058 -1.651 . . . . 0.0 110.94 164.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -127.58 166.81 17.33 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.886 1.275 . . . . 0.0 110.561 -165.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.4 p -102.46 166.8 10.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.134 1.373 . . . . 0.0 110.515 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -79.88 -11.75 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.663 -1.273 . . . . 0.0 113.958 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -99.41 25.18 7.22 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 120.5 1.5 . . . . 0.0 111.018 167.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -71.96 100.41 2.45 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.463 -2.023 . . . . 0.0 109.482 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.72 158.47 20.76 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 120.648 -1.282 . . . . 0.0 110.627 167.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 m -142.46 164.26 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.92 1.688 . . . . 0.0 109.032 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.6 p90 -133.57 162.27 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.0 mtt -73.1 155.1 40.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.706 . . . . 0.0 111.556 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -61.96 135.63 57.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 122.05 -0.406 . . . . 0.0 110.135 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.32 -8.09 34.57 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.313 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 170.88 10.22 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.695 1.748 . . . . 0.0 110.834 171.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 t -74.98 144.67 43.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.911 0.884 . . . . 0.0 109.51 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.5 ttm -62.77 -36.11 82.01 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.66 -14.92 60.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.43 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -101.66 26.01 7.86 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.92 1.288 . . . . 0.0 110.773 173.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 169.77 1.44 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.69 1.233 . . . . 0.0 112.195 170.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.53 164.59 28.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 127.709 2.404 . . . . 0.0 107.031 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -75.64 133.26 40.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.024 -1.048 . . . . 0.0 108.625 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.63 -33.81 56.39 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.372 0.669 . . . . 0.0 110.507 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.8 p -71.99 -29.0 63.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.377 -0.827 . . . . 0.0 112.512 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -53.02 53.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 171.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.82 -34.31 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 123.18 0.592 . . . . 0.0 111.482 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.63 -38.83 87.72 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 121.112 -0.992 . . . . 0.0 112.19 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -63.89 -33.49 75.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.117 0.871 . . . . 0.0 109.865 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -77.72 -54.23 6.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.46 1.027 . . . . 0.0 111.119 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.434 0 O-C-N 120.94 -1.1 . . . . 0.0 112.566 -160.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.14 127.47 32.36 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -174.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -97.0 -15.55 21.02 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.188 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -108.64 -34.73 6.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.556 1.071 . . . . 0.0 111.358 -170.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -78.5 148.07 33.62 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 121.12 -0.987 . . . . 0.0 108.472 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.03 98.89 3.73 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -178.627 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.99 1.52 2.27 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -125.39 118.47 25.95 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.923 0.889 . . . . 0.0 108.783 -173.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.59 162.98 13.4 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.99 2.116 . . . . 0.0 108.612 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 19.3 p90 -152.58 170.1 21.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.085 0.954 . . . . 0.0 109.39 170.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.18 125.29 52.05 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 109.23 168.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.35 176.72 3.53 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.604 1.162 . . . . 0.0 109.284 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -66.68 -18.11 53.22 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.873 1.715 . . . . 0.0 111.736 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -17.61 63.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.293 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 19.21 68.22 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.041 0.837 . . . . 0.0 112.404 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.79 151.57 25.53 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.55 158.93 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 161.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -140.76 165.11 28.4 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 171.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.75 -145.24 16.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 165.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -67.19 170.77 44.81 Favored 'Cis proline' 0 N--CA 1.456 -0.734 0 CA-C-N 118.381 1.09 . . . . 0.0 110.94 -3.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -131.4 163.22 28.38 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.692 1.597 . . . . 0.0 109.148 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 153.89 35.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.686 0.794 . . . . 0.0 109.463 169.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.84 -36.49 81.34 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.268 170.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -55.5 -52.01 65.07 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.6 0.636 . . . . 0.0 110.046 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.96 -51.03 69.75 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.323 0.649 . . . . 0.0 110.758 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.29 -40.58 86.59 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.757 -0.59 . . . . 0.0 111.552 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.3 -49.38 77.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.162 0.585 . . . . 0.0 109.535 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.19 -28.9 69.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.301 0.376 . . . . 0.0 111.419 -174.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -78.35 -34.8 48.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.508 1.123 . . . . 0.0 112.15 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 t -60.13 -35.87 76.23 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.272 0.942 . . . . 0.0 109.708 168.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -45.35 93.91 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.119 1.768 . . . . 0.0 109.558 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.21 10.42 3.64 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.719 . . . . 0.0 113.633 173.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 63.39 12.67 6.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.764 2.026 . . . . 0.0 114.576 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -66.05 9.09 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.014 2.125 . . . . 0.0 114.616 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -142.79 169.79 16.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.529 1.932 . . . . 0.0 108.821 -169.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -89.93 150.78 22.02 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.776 0.831 . . . . 0.0 109.443 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -8.31 37.06 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.912 -1.117 . . . . 0.0 113.59 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.78 86.57 2.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 155.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -95.24 131.12 41.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -108.24 156.58 19.2 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.139 0.881 . . . . 0.0 111.21 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -140.38 157.52 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 125.496 1.518 . . . . 0.0 108.444 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.437 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 38.2 p90 -139.14 154.75 48.15 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtm -77.4 158.4 30.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.709 0.766 . . . . 0.0 111.361 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -64.98 105.76 1.1 Allowed 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.638 1.175 . . . . 0.0 110.934 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.7 -14.48 14.68 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.765 1.65 . . . . 0.0 111.328 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.46 173.44 7.91 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 119.311 1.556 . . . . 0.0 110.294 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.72 160.27 15.43 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 165.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.1 ttm -67.35 -32.93 74.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.663 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.28 -27.52 69.39 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.008 -0.52 . . . . 0.0 112.062 174.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -73.97 3.03 7.39 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.84 0.745 . . . . 0.0 112.23 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.74 150.1 42.13 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 119.887 1.221 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.3 m -124.57 157.34 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 125.792 1.637 . . . . 0.0 107.932 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.5 127.04 29.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.65 -30.16 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.602 0.361 . . . . 0.0 111.032 171.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.38 -31.7 72.64 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.054 -1.029 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.45 -50.99 56.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.8 -37.34 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.133 1.373 . . . . 0.0 110.13 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.62 -53.04 42.77 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.346 1.458 . . . . 0.0 111.365 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -62.7 -47.08 85.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.794 0.438 . . . . 0.0 110.217 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.98 -32.28 73.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.472 0.578 . . . . 0.0 112.366 -176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 125.302 1.441 . . . . 0.0 112.114 179.754 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.63 159.36 28.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.63 1.172 . . . . 0.0 109.758 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -24.2 10.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 -171.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.87 -24.36 2.96 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -158.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 157.51 22.44 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -83.12 102.88 12.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.58 -4.77 2.91 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -121.66 117.7 27.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.506 1.122 . . . . 0.0 109.226 -170.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -92.3 154.39 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 126.456 1.902 . . . . 0.0 109.727 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -139.16 153.41 47.94 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 165.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -90.12 113.32 25.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 171.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -67.16 163.2 47.68 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 118.174 0.443 . . . . 0.0 109.872 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.31 -4.86 16.08 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.568 1.512 . . . . 0.0 112.337 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.51 -19.75 52.29 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 120.027 1.285 . . . . 0.0 110.871 169.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.94 4.42 21.06 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.893 1.711 . . . . 0.0 113.163 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.07 133.5 48.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 119.014 1.407 . . . . 0.0 108.991 -166.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -77.2 93.0 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -83.2 160.26 21.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.042 0.925 . . . . 0.0 110.883 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.97 -155.85 20.04 Favored Glycine 0 N--CA 1.438 -1.224 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.762 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.3 169.49 72.89 Favored 'Cis proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.63 -0.987 . . . . 0.0 111.95 11.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -131.02 163.41 27.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 127.411 2.284 . . . . 0.0 106.756 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.8 p -85.92 164.16 17.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.22 -31.0 72.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 123.331 0.653 . . . . 0.0 110.977 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 m -73.36 -39.31 65.26 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.387 0.994 . . . . 0.0 109.772 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.27 -49.86 74.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.487 0.585 . . . . 0.0 110.006 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -67.21 -44.33 79.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.302 1.041 . . . . 0.0 111.13 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -58.39 -45.11 88.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.579 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.48 75.64 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.377 0.99 . . . . 0.0 111.622 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -71.74 -42.48 67.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.52 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 t -59.32 -45.56 90.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.659 0.784 . . . . 0.0 110.282 175.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -53.66 -56.31 18.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.738 2.015 . . . . 0.0 108.759 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.76 11.07 1.84 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.019 2.528 . . . . 0.0 114.622 176.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 51.54 36.17 16.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.895 1.678 . . . . 0.0 114.681 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.93 -12.79 61.4 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.493 -1.379 . . . . 0.0 113.226 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.53 -148.09 0.42 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.068 1.347 . . . . 0.0 108.953 -169.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.9 p -127.3 159.89 33.0 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.458 1.103 . . . . 0.0 108.494 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.93 -53.16 60.63 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 121.461 -0.774 . . . . 0.0 109.186 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.15 35.47 0.32 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.647 1.179 . . . . 0.0 113.466 -172.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -92.57 146.8 23.39 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.212 1.805 . . . . 0.0 110.738 -170.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 162.89 28.12 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.131 0.972 . . . . 0.0 112.962 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.16 154.54 15.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 126.106 1.762 . . . . 0.0 109.664 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.462 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 10.5 p90 -146.53 158.93 43.98 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.266 1.026 . . . . 0.0 110.45 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 mtt -73.54 159.88 32.51 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.374 0.607 . . . . 0.0 111.843 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -60.08 154.0 20.37 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.86 -36.2 1.24 Allowed Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.869 1.7 . . . . 0.0 113.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 170.59 11.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.533 1.167 . . . . 0.0 112.749 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -71.87 145.86 48.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.464 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 24.9 ttm -60.78 -39.0 87.18 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.224 171.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -68.15 -24.2 64.96 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.82 -0.55 . . . . 0.0 112.17 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 m -73.87 4.73 4.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.37 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 161.26 6.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.721 1.146 . . . . 0.0 111.678 173.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.59 169.73 20.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.608 1.563 . . . . 0.0 108.339 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.82 129.12 38.95 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.35 -32.33 56.55 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.864 -0.523 . . . . 0.0 111.321 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 p -65.04 -32.58 74.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.436 0.694 . . . . 0.0 111.194 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -51.01 42.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.4 -41.53 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.694 0.798 . . . . 0.0 111.052 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.96 -47.54 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.746 0.818 . . . . 0.0 113.002 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -71.36 -35.67 71.22 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.24 1.016 . . . . 0.0 111.84 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.18 -36.08 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.383 0.673 . . . . 0.0 110.469 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.238 0.479 0 C-N-CA 123.373 0.669 . . . . 0.0 110.289 175.57 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.24 0.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -74.52 108.45 7.3 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.939 1.296 . . . . 0.0 108.23 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -80.46 -21.9 41.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -103.6 -5.78 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.626 1.171 . . . . 0.0 110.855 -163.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -111.09 149.94 30.1 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.578 0.751 . . . . 0.0 110.106 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.627 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -80.41 91.88 5.76 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.39 3.73 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.817 1.247 . . . . 0.0 112.063 -168.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -121.3 145.49 47.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 mt -117.35 153.2 33.41 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.517 1.927 . . . . 0.0 106.539 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -134.76 154.5 51.56 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.05 1.34 . . . . 0.0 109.26 163.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -91.48 126.57 36.61 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 161.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -74.43 -179.04 0.89 Allowed Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.613 0.765 . . . . 0.0 109.299 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.06 -24.94 7.8 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 121.653 1.569 . . . . 0.0 111.718 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.99 -23.51 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.851 1.66 . . . . 0.0 110.517 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.97 5.37 47.3 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.79 1.662 . . . . 0.0 111.796 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.31 132.26 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.689 1.245 . . . . 0.0 107.995 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.6 t -73.31 112.88 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 158.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -80.95 -158.95 0.22 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.564 0.745 . . . . 0.0 109.14 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.05 -169.45 50.05 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.469 -1.395 . . . . 0.0 115.067 146.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 175.53 47.35 Favored 'Cis proline' 0 CA--C 1.539 0.731 0 CA-C-N 117.924 0.862 . . . . 0.0 113.891 7.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -140.47 165.46 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.899 2.08 . . . . 0.0 110.816 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.31 152.85 20.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.778 175.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.43 -45.0 62.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.042 1.337 . . . . 0.0 110.429 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.4 m -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.269 0.628 . . . . 0.0 110.995 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.81 -44.7 76.68 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.141 0.428 . . . . 0.0 110.444 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.8 -42.42 97.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.368 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -59.79 -51.21 70.7 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.294 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.434 1.016 . . . . 0.0 110.616 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -68.63 -42.65 77.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.029 0.931 . . . . 0.0 112.424 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -41.59 97.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.375 0.989 . . . . 0.0 110.258 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.4 -26.76 68.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.389 1.876 . . . . 0.0 111.994 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.15 20.13 14.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.531 1.532 . . . . 0.0 111.394 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 54.13 23.56 4.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.695 2.398 . . . . 0.0 115.017 170.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -65.33 -5.28 6.94 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.167 -0.958 . . . . 0.0 113.179 174.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -131.74 168.15 18.27 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.561 1.544 . . . . 0.0 109.07 -170.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -96.22 173.62 7.3 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.413 1.085 . . . . 0.0 110.095 -170.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -84.52 7.8 18.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.304 1.042 . . . . 0.0 111.089 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -133.7 26.21 4.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.082 1.753 . . . . 0.0 109.066 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -86.23 137.53 32.55 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.115 1.366 . . . . 0.0 109.726 -173.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -126.84 164.43 21.4 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.64 153.03 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.09 1.756 . . . . 0.0 108.18 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 15.7 p90 -140.95 158.93 43.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 mtt -74.14 157.9 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.479 0.657 . . . . 0.0 109.887 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -57.34 130.15 44.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 122.913 0.485 . . . . 0.0 110.058 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.13 -2.91 59.68 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.296 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -80.22 167.58 20.14 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.954 1.377 . . . . 0.0 108.516 166.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.09 144.14 33.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.582 -0.699 . . . . 0.0 109.126 -177.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.414 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 41.8 ttm -59.35 -27.1 65.62 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 122.298 1.047 . . . . 0.0 111.927 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.251 20.7 mt-10 -79.87 -7.17 58.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.078 1.751 . . . . 0.0 111.985 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -88.37 -1.23 57.92 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.482 1.113 . . . . 0.0 112.603 161.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.53 123.77 20.56 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.507 1.503 . . . . 0.0 111.271 -169.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.79 166.69 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 126.216 1.806 . . . . 0.0 109.493 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.26 130.87 44.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.6 tp -53.34 -33.92 55.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.013 0.525 . . . . 0.0 112.367 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 p -61.73 -41.45 97.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.168 0.587 . . . . 0.0 110.382 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.63 -51.49 59.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 86.8 t -61.18 -29.95 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.01 -57.28 7.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.412 1.006 . . . . 0.0 110.198 165.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -63.42 -37.56 87.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . 6.9 mp -61.18 -19.6 61.77 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.138 -1.601 . . . . 0.0 113.141 169.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.532 0.277 0 CA-C-N 119.754 1.161 . . . . 0.0 111.187 172.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 . . . . . 0 C--O 1.24 0.556 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.75 133.86 43.37 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -17.08 34.69 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.05 -24.7 9.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.521 0.601 . . . . 0.0 111.536 -150.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 150.41 21.62 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.43 1.092 . . . . 0.0 110.943 173.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.47 99.84 7.42 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.186 0.995 . . . . 0.0 109.449 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.1 6.64 2.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -168.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -128.82 129.64 45.88 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.001 0.92 . . . . 0.0 109.345 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.7 mt -110.42 156.81 20.3 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 127.352 2.261 . . . . 0.0 109.692 -173.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.62 150.53 33.42 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.622 0.369 . . . . 0.0 110.847 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -89.54 114.22 25.74 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.767 1.627 . . . . 0.0 107.823 169.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.13 164.66 40.14 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.73 -23.2 56.76 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.731 3.621 . . . . 0.0 112.379 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -75.57 -7.72 54.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.72 0.808 . . . . 0.0 113.166 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.53 73.31 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.984 -1.073 . . . . 0.0 113.357 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.67 127.07 29.73 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.069 1.348 . . . . 0.0 107.73 171.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.51 113.19 14.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 161.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.69 168.76 10.8 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.892 0.877 . . . . 0.0 109.407 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.44 -165.02 36.81 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.65 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.05 169.24 72.62 Favored 'Cis proline' 0 N--CA 1.455 -0.744 0 C-N-CA 124.921 -0.866 . . . . 0.0 112.966 20.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.54 162.23 32.46 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.954 1.301 . . . . 0.0 109.26 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.04 151.21 28.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.315 1.046 . . . . 0.0 108.939 174.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.99 -31.16 72.23 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.378 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.1 m -58.52 -45.66 88.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.022 0.828 . . . . 0.0 111.209 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.92 -42.24 81.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.654 0.661 . . . . 0.0 109.913 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.79 -43.34 89.04 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.255 0.622 . . . . 0.0 110.42 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -54.83 -53.52 54.27 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.616 0.644 . . . . 0.0 109.625 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.25 68.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.322 -0.371 . . . . 0.0 111.791 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.05 -30.33 26.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.271 0.941 . . . . 0.0 113.075 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.8 t -60.94 -47.71 85.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.351 0.978 . . . . 0.0 108.665 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.3 -40.32 81.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.568 1.947 . . . . 0.0 110.289 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.29 10.06 9.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.196 1.798 . . . . 0.0 114.2 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 59.46 24.4 13.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.003 2.121 . . . . 0.0 115.019 174.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -70.16 -0.53 7.99 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.335 -1.478 . . . . 0.0 113.419 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 51' ' ' PHE . 19.9 m-85 -131.71 -178.44 4.87 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.05 1.34 . . . . 0.0 111.978 -164.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -121.24 164.2 17.34 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.674 1.59 . . . . 0.0 110.959 -167.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.83 -26.9 66.18 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.582 -0.698 . . . . 0.0 112.402 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -120.04 39.86 3.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.124 0.97 . . . . 0.0 109.681 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 47' ' ' PHE . 23.2 t80 -75.98 107.53 8.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.76 167.34 11.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 120.851 -1.156 . . . . 0.0 109.943 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.2 153.16 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.281 1.032 . . . . 0.0 108.664 167.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.432 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 23.3 p90 -120.7 159.93 24.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.763 0.825 . . . . 0.0 109.408 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 41.5 mtt -70.98 155.12 41.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.403 0.621 . . . . 0.0 110.946 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.8 p -57.66 137.87 55.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 165.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.23 77.99 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-O 117.713 -1.604 . . . . 0.0 114.552 -176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.76 170.52 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.039 2.42 . . . . 0.0 110.694 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -79.12 148.77 32.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.368 2.267 . . . . 0.0 110.067 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.432 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.2 ttm -63.88 -30.23 71.34 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.551 -0.718 . . . . 0.0 111.1 172.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.25 -19.39 65.51 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.451 -1.406 . . . . 0.0 111.823 173.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -9.76 59.03 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.117 0.871 . . . . 0.0 111.657 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 119.91 10.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 119.433 1.015 . . . . 0.0 111.222 -169.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.88 158.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.464 1.506 . . . . 0.0 109.64 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -64.82 124.25 21.48 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.381 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.1 tp -52.44 -25.81 11.04 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 165.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -79.99 -24.91 40.54 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.169 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.07 -46.66 22.9 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.11 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 118.704 0.684 . . . . 0.0 111.386 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.8 -20.45 61.56 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.041 -1.037 . . . . 0.0 113.06 170.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -89.17 -47.65 7.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.791 1.237 . . . . 0.0 110.879 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.87 -14.09 41.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 111.693 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.452 -0.342 0 C-N-CA 126.977 2.111 . . . . 0.0 109.03 175.603 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.841 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m 57.63 48.08 14.78 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.328 1.064 . . . . 0.0 112.392 166.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -62.75 164.94 7.12 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.781 0.832 . . . . 0.0 111.005 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.48 -139.77 4.02 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 105.17 111.26 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 C-N-CA 130.072 3.349 . . . . 0.0 107.2 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 m -76.54 -26.43 55.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.781 0.833 . . . . 0.0 111.396 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.71 -160.92 22.23 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -165.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.2 94.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 126.113 1.765 . . . . 0.0 108.007 169.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -71.69 161.03 31.62 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 125.248 1.419 . . . . 0.0 108.982 169.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.91 148.85 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 151.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.26 147.23 50.63 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 169.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.04 160.29 39.08 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 126.178 1.791 . . . . 0.0 109.424 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -97.82 101.75 13.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -92.24 116.35 28.88 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 124.729 1.212 . . . . 0.0 107.842 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -82.49 2.14 34.3 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.268 -0.973 . . . . 0.0 110.11 167.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -112.24 -61.74 1.67 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 124.477 1.111 . . . . 0.0 108.831 -166.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.37 153.81 35.46 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.971 0.805 . . . . 0.0 110.615 -176.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -82.88 99.62 9.85 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -129.9 -0.72 4.76 Favored 'General case' 0 C--O 1.226 -0.141 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -170.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -125.26 118.22 25.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.691 1.132 . . . . 0.0 109.829 -169.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.9 mt -90.76 157.68 17.27 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 126.522 1.929 . . . . 0.0 108.613 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 8.5 p90 -145.03 154.38 42.45 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.691 0.396 . . . . 0.0 110.079 166.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 2.2 tttt -96.14 121.81 38.31 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 125.76 1.624 . . . . 0.0 108.872 172.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -78.54 174.11 6.58 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.104 1.362 . . . . 0.0 111.343 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -84.34 -3.29 10.14 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.87 2.38 . . . . 0.0 113.603 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -25.04 60.18 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.596 1.089 . . . . 0.0 109.487 160.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.37 -2.39 26.56 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 127.017 2.246 . . . . 0.0 112.438 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.8 143.2 28.42 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 119.326 1.563 . . . . 0.0 109.285 -171.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.5 t -81.72 130.03 36.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 168.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -113.66 176.1 5.17 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.078 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.41 -156.49 27.0 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 121.977 -0.452 . . . . 0.0 112.461 168.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -76.26 171.45 68.03 Favored 'Cis proline' 0 N--CA 1.454 -0.815 0 CA-C-N 118.244 1.022 . . . . 0.0 112.258 9.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -131.8 162.1 31.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 126.8 2.04 . . . . 0.0 108.187 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 77.5 p -86.67 161.65 18.34 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.86 -29.53 70.49 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 117.25 -1.357 . . . . 0.0 111.05 174.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.9 m -58.02 -42.7 85.85 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 121.234 1.834 . . . . 0.0 110.775 174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -70.15 -55.58 9.02 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 68.2 mt -57.78 -41.6 82.38 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 122.727 0.411 . . . . 0.0 110.75 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -56.94 -58.21 9.15 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.964 171.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.23 -42.0 72.84 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 118.904 0.774 . . . . 0.0 111.271 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -65.51 -41.16 93.47 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.124 0.969 . . . . 0.0 111.532 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -65.31 -20.71 66.52 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.145 -0.972 . . . . 0.0 112.045 171.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -95.62 -6.37 40.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.455 2.302 . . . . 0.0 111.565 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.83 9.97 13.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.153 1.781 . . . . 0.0 114.876 -173.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 57.74 38.61 27.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.967 1.307 . . . . 0.0 113.653 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -82.35 -24.05 34.73 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.012 -1.055 . . . . 0.0 111.837 167.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -134.08 176.57 8.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.01 1.324 . . . . 0.0 110.537 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.5 p -121.12 163.95 17.61 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.802 1.241 . . . . 0.0 108.399 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -54.66 -37.1 65.3 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.358 -0.839 . . . . 0.0 113.007 -176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -85.88 69.14 10.54 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.245 1.018 . . . . 0.0 108.337 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -133.04 98.5 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 126.449 1.9 . . . . 0.0 107.769 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -87.62 161.66 17.57 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.157 -0.965 . . . . 0.0 111.561 170.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.89 141.27 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 127.55 2.34 . . . . 0.0 108.005 -173.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 13.0 p90 -132.52 157.29 45.06 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.637 1.175 . . . . 0.0 109.243 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 49.2 mtm -79.24 160.13 27.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 122.147 0.975 . . . . 0.0 112.046 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -61.01 97.44 0.06 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.182 2.193 . . . . 0.0 111.94 -175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.07 0.2 41.43 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 118.712 -1.049 . . . . 0.0 112.538 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.59 172.89 13.03 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 119.1 1.45 . . . . 0.0 108.284 164.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 m -72.27 143.73 48.65 Favored 'General case' 0 N--CA 1.425 -1.706 0 C-N-CA 124.273 1.029 . . . . 0.0 109.556 171.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.461 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 40.9 ttm -58.05 -23.74 55.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.834 0.826 . . . . 0.0 110.993 170.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -89.76 -17.39 28.32 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.531 1.132 . . . . 0.0 113.534 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 p -77.84 2.59 16.75 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 120.488 1.495 . . . . 0.0 111.031 162.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.58 123.45 14.89 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.314 -0.867 . . . . 0.0 110.666 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.8 m -96.71 164.89 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.51 1.524 . . . . 0.0 108.559 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.0 mt -67.72 127.63 33.5 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.4 tp -50.75 -37.53 42.49 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.745 1.218 . . . . 0.0 111.538 173.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -15.5 61.31 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.174 -0.954 . . . . 0.0 110.919 -176.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.2 -33.49 14.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.059 -1.026 . . . . 0.0 112.32 169.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.52 -42.42 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.789 1.177 . . . . 0.0 110.146 170.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mp -57.31 -33.06 67.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.687 1.595 . . . . 0.0 113.782 173.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.4 ttm105 -85.49 -37.08 20.11 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.123 0.874 . . . . 0.0 110.887 176.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.59 -52.35 63.75 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 124.763 1.225 . . . . 0.0 109.713 -177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 t -111.71 105.93 14.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 106.369 -1.715 . . . . 0.0 106.369 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.74 -173.47 45.76 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 108.919 -1.673 . . . . 0.0 108.919 -173.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -67.82 147.63 75.38 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.505 2.137 . . . . 0.0 112.107 -175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.0 t -81.05 179.15 8.0 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.333 172.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t 56.11 84.97 0.08 Allowed 'General case' 0 C--O 1.238 0.483 0 C-N-CA 126.539 1.935 . . . . 0.0 110.504 -176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 N-CA-C 107.73 -2.148 . . . . 0.0 107.73 -172.318 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.788 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -108.04 128.63 54.83 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 170.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 p -138.26 176.09 9.0 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.942 -172.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.94 173.19 38.89 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t -61.89 115.7 4.25 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.46 -1.024 . . . . 0.0 108.445 172.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -157.04 165.57 35.75 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.743 1.617 . . . . 0.0 107.336 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.01 -85.04 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.217 -2.353 . . . . 0.0 107.217 174.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.7 t -66.46 90.93 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 124.618 1.167 . . . . 0.0 108.472 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -137.78 149.75 46.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 127.855 2.462 . . . . 0.0 106.468 168.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -67.87 162.04 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 pp -134.09 109.0 8.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.36 1.464 . . . . 0.0 108.184 170.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -75.54 132.23 40.58 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -71.12 146.29 49.29 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -101.2 98.83 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 125.501 1.52 . . . . 0.0 109.968 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -89.8 -26.93 20.32 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.927 -164.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -125.71 -34.74 2.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.986 0.812 . . . . 0.0 110.864 -168.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -66.23 160.93 23.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.693 0.678 . . . . 0.0 109.231 169.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.16 98.05 8.79 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.36 6.1 5.27 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -171.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -124.82 144.71 50.14 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 123.71 0.804 . . . . 0.0 110.075 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.0 mt -122.11 158.98 28.1 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 127.434 2.293 . . . . 0.0 107.37 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -147.57 158.9 44.2 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.62 122.55 44.63 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.445 0.698 . . . . 0.0 109.51 171.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 165.72 42.11 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 174.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.21 -29.47 46.64 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 124.481 3.454 . . . . 0.0 113.232 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -64.32 -13.57 50.92 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.353 1.061 . . . . 0.0 111.564 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.5 -10.82 67.0 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 126.496 1.998 . . . . 0.0 112.711 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -73.94 128.3 35.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.11 125.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 153.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -110.35 162.67 14.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.974 0.91 . . . . 0.0 110.975 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.86 -147.44 16.32 Favored Glycine 0 N--CA 1.442 -0.952 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.415 170.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -70.7 167.99 72.19 Favored 'Cis proline' 0 N--CA 1.453 -0.904 0 C-N-CA 124.597 -1.001 . . . . 0.0 112.68 1.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.53 161.26 35.07 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 125.943 1.697 . . . . 0.0 108.553 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 p -82.25 155.73 24.72 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.855 0.862 . . . . 0.0 110.074 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.0 mt -56.92 -41.87 78.95 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 118.238 -0.887 . . . . 0.0 109.958 171.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -60.76 -45.55 93.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.021 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -60.31 -52.27 65.99 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.439 1.018 . . . . 0.0 110.498 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.3 mt -56.67 -37.94 71.52 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.066 0.394 . . . . 0.0 111.767 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.1 tttt -67.18 -62.16 1.57 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.237 1.015 . . . . 0.0 109.752 175.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.65 -18.65 62.71 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -173.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -76.82 -50.89 12.38 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.317 1.047 . . . . 0.0 110.939 168.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -58.47 -40.78 83.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.509 1.049 . . . . 0.0 110.624 175.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -72.0 -7.31 47.98 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.111 1.764 . . . . 0.0 112.194 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.93 7.4 16.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.576 1.55 . . . . 0.0 111.639 170.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.255 61.7 mm-40 60.77 50.85 5.14 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.849 2.06 . . . . 0.0 114.194 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -84.07 -12.08 55.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 165.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -126.55 -157.2 0.79 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.714 1.143 . . . . 0.0 109.714 -170.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.3 p -137.18 166.61 23.33 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.791 1.236 . . . . 0.0 109.446 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.64 96.46 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 121.221 -0.924 . . . . 0.0 110.994 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.21 16.93 0.68 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.099 1.36 . . . . 0.0 112.808 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -72.6 107.82 5.3 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 119.938 -1.726 . . . . 0.0 109.369 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -90.32 159.89 16.41 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 120.676 -1.265 . . . . 0.0 110.33 168.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 m -140.07 155.68 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.613 1.965 . . . . 0.0 108.129 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -137.59 165.6 25.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.661 0.664 . . . . 0.0 110.04 173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.4 mtt -81.24 156.82 25.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.425 0.631 . . . . 0.0 112.633 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -60.53 118.12 6.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 123.744 0.818 . . . . 0.0 109.979 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 80.41 4.32 90.0 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.839 -1.534 . . . . 0.0 113.926 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -94.23 166.79 11.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 119.342 1.571 . . . . 0.0 108.892 164.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.82 151.32 30.34 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 126.443 1.897 . . . . 0.0 109.956 -175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttm -68.02 -33.03 73.82 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.39 0.676 . . . . 0.0 111.018 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.44 -14.14 62.79 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.802 0.841 . . . . 0.0 111.862 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 13.23 26.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.008 1.323 . . . . 0.0 110.523 171.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.5 160.87 12.85 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 122.043 0.925 . . . . 0.0 110.525 172.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 m -130.95 155.67 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 127.199 2.199 . . . . 0.0 107.064 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -71.02 131.13 43.19 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.63 -31.81 62.63 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.117 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.2 p -63.75 -33.98 76.86 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.339 0.972 . . . . 0.0 111.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -51.63 26.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.1 t -55.24 -42.32 65.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.189 0.996 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mp -55.06 -51.89 64.92 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 124.744 1.217 . . . . 0.0 111.268 171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -69.25 -21.76 63.89 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.583 -0.698 . . . . 0.0 112.736 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.7 mt -81.16 -8.46 59.76 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.526 1.13 . . . . 0.0 112.537 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 p -123.21 -45.8 2.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.086 1.312 . . . . 0.0 110.729 -175.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.4 170.18 12.92 Favored Glycine 0 CA--C 1.536 1.389 0 O-C-N 121.705 -0.622 . . . . 0.0 111.778 156.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -78.28 169.3 20.36 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 123.477 2.785 . . . . 0.0 112.761 -169.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.7 86.84 7.07 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 172.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t 72.23 146.32 0.08 Allowed 'General case' 0 CA--C 1.527 0.06 0 C-N-CA 127.582 2.353 . . . . 0.0 109.843 -165.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.382 0 N-CA-C 105.919 -2.873 . . . . 0.0 105.919 147.212 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m 37.1 52.99 1.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 127.557 2.343 . . . . 0.0 113.517 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.6 m -154.56 166.98 31.61 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.886 1.674 . . . . 0.0 107.657 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.21 -156.35 19.97 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 -172.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -140.93 131.35 25.23 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 117.471 0.635 . . . . 0.0 110.16 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -87.3 108.72 19.08 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.467 1.507 . . . . 0.0 108.278 174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.46 -96.42 0.11 Allowed Glycine 0 C--N 1.333 0.381 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 m -76.6 57.08 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 126.727 2.011 . . . . 0.0 112.606 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -60.05 145.41 46.58 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 121.01 -1.057 . . . . 0.0 108.729 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 10' ' ' VAL . 3.4 p -79.58 153.37 4.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 171.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.84 86.14 1.05 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.5 0.72 . . . . 0.0 111.164 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 t -74.46 133.85 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 166.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -66.82 107.99 2.38 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 166.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -70.24 99.93 1.61 Allowed 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.051 0.844 . . . . 0.0 109.463 -174.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.27 -31.69 12.29 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -171.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -101.03 -2.38 31.79 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 124.989 1.316 . . . . 0.0 112.168 -164.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.8 145.43 49.06 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 96.3 0.31 Allowed 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 125.086 1.354 . . . . 0.0 110.218 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.51 1.85 2.65 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 -169.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -129.75 127.76 41.06 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.569 0.748 . . . . 0.0 110.203 -171.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.2 mt -104.47 158.33 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 127.46 2.304 . . . . 0.0 108.736 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 16.1 p90 -149.12 167.41 25.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.575 -0.726 . . . . 0.0 109.431 173.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -108.9 114.33 28.0 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.941 1.297 . . . . 0.0 111.172 171.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.37 165.89 49.31 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 173.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -74.86 -4.23 15.09 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 124.415 3.41 . . . . 0.0 112.113 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -64.97 -23.65 67.28 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.614 1.166 . . . . 0.0 110.633 164.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.29 30.6 58.46 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -170.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -103.6 166.44 10.42 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 124.773 1.229 . . . . 0.0 107.914 167.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -117.12 92.62 2.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -67.88 176.42 2.57 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.595 0.712 . . . . 0.0 109.599 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.62 -160.29 28.87 Favored Glycine 0 CA--C 1.524 0.631 0 O-C-N 121.562 -0.711 . . . . 0.0 112.877 166.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -73.95 170.37 70.88 Favored 'Cis proline' 0 N--CA 1.46 -0.466 0 CA-C-N 117.94 0.87 . . . . 0.0 112.998 9.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -135.08 151.93 51.2 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.683 1.593 . . . . 0.0 109.882 -176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 144.59 39.9 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.928 0.891 . . . . 0.0 108.693 171.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.1 -33.53 69.2 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.582 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -70.77 -34.14 71.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.965 0.802 . . . . 0.0 110.489 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.14 -49.16 65.78 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 172.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.2 mt -58.19 -41.06 83.09 Favored 'General case' 0 C--O 1.225 -0.235 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.288 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -60.19 -49.63 76.87 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.872 174.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.97 76.81 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.955 0.798 . . . . 0.0 111.419 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -70.29 -38.59 75.05 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.451 -0.785 . . . . 0.0 112.006 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -47.23 80.73 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.068 0.947 . . . . 0.0 110.176 170.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.33 -17.59 64.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.008 1.723 . . . . 0.0 111.773 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.56 12.03 35.5 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.436 1.895 . . . . 0.0 110.916 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 61.22 23.29 13.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.283 2.233 . . . . 0.0 112.903 169.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -75.37 -0.81 21.13 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.462 1.505 . . . . 0.0 114.178 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -134.21 155.69 49.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.759 1.163 . . . . 0.0 108.704 -168.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.6 p -79.51 151.33 30.82 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.21 -1.359 . . . . 0.0 108.828 -162.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -65.48 -3.91 5.06 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -170.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -140.12 70.69 1.36 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.514 1.926 . . . . 0.0 108.046 157.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -73.91 117.36 15.61 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 125.21 1.404 . . . . 0.0 109.343 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -95.03 155.69 16.62 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 120.067 1.303 . . . . 0.0 110.957 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -138.19 156.17 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 126.074 1.75 . . . . 0.0 108.603 176.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.458 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 16.3 p90 -129.68 159.01 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 35.0 mtt -71.61 166.05 22.66 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.2 0.524 . . . . 0.0 110.117 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 p -61.31 146.63 47.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.345 0.593 . . . . 0.0 110.244 172.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.18 -36.22 1.1 Allowed Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.557 1.551 . . . . 0.0 114.33 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.99 161.98 6.11 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.812 1.306 . . . . 0.0 111.158 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.7 t -86.31 160.6 19.07 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.773 0.797 . . . . 0.0 109.562 171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.458 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 2.1 ttm -73.61 -25.65 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 123.692 0.797 . . . . 0.0 111.628 177.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.14 -8.57 32.04 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.239 0.616 . . . . 0.0 112.048 164.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 12.32 33.14 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.647 1.979 . . . . 0.0 110.643 171.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.0 166.7 17.47 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.749 -1.219 . . . . 0.0 111.707 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.96 162.92 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 126.918 2.087 . . . . 0.0 108.175 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.8 mt -73.62 123.9 24.9 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.5 tp -50.39 -32.88 18.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.996 0.918 . . . . 0.0 111.038 173.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.9 p -71.93 -27.97 63.16 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.759 1.163 . . . . 0.0 112.223 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -47.28 60.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 172.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.1 t -62.13 -31.54 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -56.36 -43.77 79.47 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.688 1.595 . . . . 0.0 111.168 174.134 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.71 -54.46 16.0 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 124.432 1.093 . . . . 0.0 109.868 173.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 mt -63.7 -32.52 74.04 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 123.044 0.537 . . . . 0.0 111.927 -166.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 m -93.33 47.37 1.25 Allowed 'General case' 0 C--O 1.235 0.336 0 C-N-CA 124.465 1.106 . . . . 0.0 110.907 -169.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 169.95 -178.57 42.76 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 126.273 1.892 . . . . 0.0 108.492 -175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.9 148.15 69.97 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.369 1.38 . . . . 0.0 109.406 166.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -72.63 -35.56 67.83 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.005 -0.678 . . . . 0.0 109.676 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m 55.39 66.22 1.28 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 126.18 1.792 . . . . 0.0 111.424 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.675 0 CA-C-O 118.261 -1.3 . . . . 0.0 110.781 175.105 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.668 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -138.86 171.2 14.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.46 1.13 . . . . 0.0 111.087 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -71.3 -179.76 2.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 122.061 0.934 . . . . 0.0 109.282 165.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.15 87.38 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -134.6 50.05 2.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 125.587 1.555 . . . . 0.0 110.041 -163.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -58.74 177.16 0.15 Allowed 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.984 151.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.6 -121.87 2.49 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER 69.56 153.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 126.095 1.758 . . . . 0.0 110.781 176.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -90.83 67.79 6.24 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.317 1.047 . . . . 0.0 109.794 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 t -121.97 141.06 43.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 166.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 mt -107.85 69.77 0.75 Allowed 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 122.105 0.955 . . . . 0.0 109.224 171.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 m -74.36 154.15 38.97 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 160.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -114.07 101.31 9.11 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 158.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.95 147.38 50.66 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 167.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -128.41 5.66 5.73 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -113.96 -52.12 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.447 0.699 . . . . 0.0 110.294 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -62.78 158.52 18.53 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.768 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.5 mt -91.3 109.22 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.72 -2.27 1.75 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 118.169 -0.92 . . . . 0.0 113.27 -168.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -125.56 126.7 45.23 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.084 0.954 . . . . 0.0 110.618 -173.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -95.59 160.26 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 126.408 1.883 . . . . 0.0 108.435 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -145.02 150.51 37.0 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 120.669 0.271 . . . . 0.0 110.384 166.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -90.44 117.22 28.97 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 170.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -73.77 174.03 5.46 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 123.263 0.625 . . . . 0.0 110.17 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.72 -7.44 16.62 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 121.809 1.673 . . . . 0.0 112.93 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -83.21 -4.44 58.41 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.822 1.649 . . . . 0.0 110.127 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.47 14.71 81.86 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.281 0.943 . . . . 0.0 112.43 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.53 142.88 27.27 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.54 129.27 37.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 161.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -106.66 162.45 13.75 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 168.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.25 -172.02 21.01 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 123.402 0.525 . . . . 0.0 112.597 170.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -81.22 168.87 68.62 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 124.016 -1.243 . . . . 0.0 113.148 18.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.77 164.38 27.67 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 127.543 2.337 . . . . 0.0 109.271 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -81.96 155.14 25.38 Favored 'General case' 0 N--CA 1.444 -0.743 0 O-C-N 123.638 0.586 . . . . 0.0 110.462 170.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.06 -33.47 75.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.581 170.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -63.56 -45.83 88.68 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.195 0.907 . . . . 0.0 109.519 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -64.48 -44.24 91.63 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.29 0.95 . . . . 0.0 111.722 177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.9 -40.9 90.35 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.914 0.779 . . . . 0.0 111.301 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -60.32 -59.97 4.57 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.57 1.148 . . . . 0.0 110.003 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.11 65.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.704 0.801 . . . . 0.0 112.045 -176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -75.1 -40.88 59.65 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.111 -0.947 . . . . 0.0 112.372 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.48 -39.75 94.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 119.422 1.01 . . . . 0.0 109.578 172.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.71 -50.58 72.72 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 125.517 1.527 . . . . 0.0 108.631 176.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.46 15.23 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.604 1.962 . . . . 0.0 114.831 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 65.69 12.98 8.68 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.221 1.808 . . . . 0.0 114.715 172.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.3 -9.79 58.95 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -121.53 -173.47 2.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.702 1.137 . . . . 0.0 111.032 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.6 p -129.24 168.46 16.17 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 123.416 0.687 . . . . 0.0 110.147 -167.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -63.5 -26.88 68.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.783 0.802 . . . . 0.0 112.06 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -108.87 28.78 8.1 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.206 1.002 . . . . 0.0 110.199 -174.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -79.34 139.55 37.76 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -132.89 158.36 42.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 125.025 1.33 . . . . 0.0 110.384 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.82 158.16 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.521 0.729 . . . . 0.0 110.08 170.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.459 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 9.7 p90 -136.46 155.41 50.03 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 125.648 1.579 . . . . 0.0 108.092 171.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.6 mtm -78.94 164.82 24.1 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 118.508 0.595 . . . . 0.0 111.213 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -58.83 149.96 25.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.69 -21.71 1.2 Allowed Glycine 0 CA--C 1.532 1.099 0 CA-C-O 117.842 -1.532 . . . . 0.0 115.427 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -75.87 174.37 9.98 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 120.791 2.296 . . . . 0.0 110.145 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.92 144.33 33.47 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.308 1.043 . . . . 0.0 109.715 168.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.459 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 44.6 ttm -61.1 -40.14 92.63 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.763 0.425 . . . . 0.0 110.116 172.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -74.61 -12.79 60.54 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.468 -0.77 . . . . 0.0 111.559 -175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.0 -2.51 30.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.94 166.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 144.84 37.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 118.811 0.732 . . . . 0.0 110.346 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 m -110.84 164.82 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 126.796 2.038 . . . . 0.0 108.793 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.22 133.25 50.24 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 120.129 -1.607 . . . . 0.0 109.3 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.17 -28.28 66.46 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.057 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.7 p -67.31 -39.54 85.93 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 119.597 1.089 . . . . 0.0 112.15 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -60.2 -49.62 76.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -61.25 -40.72 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 123.08 0.552 . . . . 0.0 110.598 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -16.37 62.46 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.706 -1.246 . . . . 0.0 113.824 174.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ttm-85 -87.72 -49.97 6.79 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.915 0.886 . . . . 0.0 109.824 167.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.35 -25.85 66.16 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.478 1.111 . . . . 0.0 111.37 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.7 m -84.1 78.68 9.72 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.236 1.414 . . . . 0.0 109.228 174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -137.01 161.57 25.16 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.992 0.806 . . . . 0.0 111.288 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -80.6 79.08 3.43 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.901 3.068 . . . . 0.0 110.763 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.8 t -118.05 150.47 39.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 163.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 p -153.37 91.09 1.47 Allowed 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 163.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 116.076 -2.513 . . . . 0.0 111.664 -170.244 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.812 0 N-CA-C 106.714 -2.554 . . . . 0.0 106.714 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 168.51 0.5 Allowed 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.84 0.856 . . . . 0.0 110.535 154.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -141.89 -178.2 5.57 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.672 1.189 . . . . 0.0 108.598 163.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.61 135.07 5.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 108.559 -1.817 . . . . 0.0 108.559 -171.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -140.98 -50.77 0.44 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.095 1.358 . . . . 0.0 107.917 170.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -64.18 171.71 2.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.282 0.633 . . . . 0.0 109.923 162.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 98.96 0.18 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.5 t -80.8 64.58 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.334 1.054 . . . . 0.0 108.761 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.0 150.97 41.05 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.179 -0.951 . . . . 0.0 110.267 172.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.83 167.15 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.458 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 175.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -94.32 67.86 3.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 122.051 0.929 . . . . 0.0 112.167 171.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.5 m -75.31 134.51 41.03 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 163.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -74.77 101.33 4.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 160.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 105.26 10.24 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -70.29 -31.31 68.6 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.329 -1.349 . . . . 0.0 112.189 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.88 -35.85 23.81 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.986 0.812 . . . . 0.0 109.672 -165.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -72.81 141.62 48.03 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.58 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.58 106.22 12.43 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 -176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -140.58 4.53 1.96 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -118.23 119.23 34.06 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 123.433 0.693 . . . . 0.0 109.875 -175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.31 156.64 18.13 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 127.354 2.261 . . . . 0.0 108.419 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 17.4 p90 -153.63 165.65 35.27 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.135 0.493 . . . . 0.0 110.4 167.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -107.7 113.98 27.63 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.857 0.863 . . . . 0.0 108.723 168.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.65 173.7 0.96 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 124.955 1.302 . . . . 0.0 108.533 174.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.92 39.02 0.76 Allowed 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 124.617 3.545 . . . . 0.0 110.401 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -125.25 -15.73 6.16 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.268 2.227 . . . . 0.0 110.757 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.34 -1.54 76.7 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.371 1.939 . . . . 0.0 114.945 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.51 143.14 29.25 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.627 2.371 . . . . 0.0 110.022 -177.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.7 t -80.84 97.36 3.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -74.29 157.7 35.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.7 -175.88 16.77 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 122.041 -0.412 . . . . 0.0 113.882 165.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.61 170.87 59.43 Favored 'Cis proline' 0 N--CA 1.457 -0.642 0 C-N-CA 124.855 -0.894 . . . . 0.0 112.951 8.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.97 165.51 25.16 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.589 1.955 . . . . 0.0 110.09 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -80.49 152.73 28.58 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.705 1.202 . . . . 0.0 109.378 175.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.14 -32.53 74.26 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 119.269 -0.396 . . . . 0.0 110.477 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.7 m -60.13 -53.67 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.543 0.61 . . . . 0.0 109.801 175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -58.98 -48.8 80.27 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.691 0.678 . . . . 0.0 109.676 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.62 -44.33 85.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 119.253 -0.404 . . . . 0.0 111.497 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -62.68 -53.61 51.93 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.683 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.5 68.97 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.783 0.72 . . . . 0.0 111.852 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -73.22 -43.21 61.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.464 0.705 . . . . 0.0 111.097 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.45 99.14 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 118.702 0.683 . . . . 0.0 110.622 174.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -55.03 -30.39 59.44 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.721 2.008 . . . . 0.0 110.58 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.6 7.55 45.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.801 1.641 . . . . 0.0 112.527 -175.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 62.97 21.01 12.64 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.072 1.749 . . . . 0.0 112.791 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -75.46 -3.52 34.39 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.004 -1.06 . . . . 0.0 112.644 173.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -126.53 171.65 10.9 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 119.561 1.073 . . . . 0.0 110.115 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 56.5 p -101.91 155.37 18.2 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.067 -165.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -61.1 -9.13 4.11 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.616 1.566 . . . . 0.0 112.694 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.62 34.12 4.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.663 1.585 . . . . 0.0 111.139 173.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -72.72 142.56 48.19 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 121.232 -0.917 . . . . 0.0 110.5 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HG3' ' HA ' ' A' ' 65' ' ' LEU . 3.6 mpt_? -130.06 159.89 35.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 O-C-N 121.318 -0.864 . . . . 0.0 111.752 172.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.33 149.73 30.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 125.43 1.492 . . . . 0.0 107.807 177.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 20.0 p90 -127.01 157.1 40.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 172.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.8 mtm -78.63 169.66 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.545 0.688 . . . . 0.0 110.173 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.3 p -62.19 154.2 28.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.337 0.589 . . . . 0.0 111.018 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.76 -24.15 0.4 Allowed Glycine 0 CA--C 1.528 0.885 0 C-N-CA 126.084 1.802 . . . . 0.0 114.275 -176.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.28 173.38 10.28 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 119.055 1.427 . . . . 0.0 111.946 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.7 149.46 25.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 126.241 1.817 . . . . 0.0 110.311 172.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.443 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 1.6 ttp -64.04 -25.2 68.01 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.651 170.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.84 -8.57 56.15 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 120.827 -1.17 . . . . 0.0 111.61 173.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.55 27.8 8.46 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.917 2.087 . . . . 0.0 108.292 173.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.26 131.64 37.31 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.174 1.39 . . . . 0.0 110.604 174.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 m -101.17 161.0 3.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 125.644 1.578 . . . . 0.0 109.877 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' HA ' ' HG3' ' A' ' 52' ' ' ARG . 18.8 mt -62.09 125.12 22.76 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.7 tp -51.32 -36.0 40.65 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.907 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -18.1 61.98 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.844 1.258 . . . . 0.0 112.462 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -79.19 -54.85 5.57 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.402 1.481 . . . . 0.0 107.564 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.6 t -52.26 -40.18 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.251 1.421 . . . . 0.0 111.2 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -44.31 63.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.264 1.425 . . . . 0.0 112.242 175.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -71.59 -45.98 60.62 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.985 0.914 . . . . 0.0 110.364 174.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.9 mt -53.93 -50.06 67.28 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.521 0.729 . . . . 0.0 110.507 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.3 p -67.22 98.82 0.64 Allowed 'General case' 0 C--O 1.237 0.409 0 C-N-CA 125.038 1.335 . . . . 0.0 111.111 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.25 155.51 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.11 96.99 0.81 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.963 2.442 . . . . 0.0 108.296 157.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 p -157.04 175.96 13.39 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.483 1.113 . . . . 0.0 112.163 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.9 p -104.87 -12.43 16.26 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.191 2.196 . . . . 0.0 112.2 168.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 N-CA-C 104.607 -3.397 . . . . 0.0 104.607 157.878 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.73 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.57 107.15 0.75 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.888 0.875 . . . . 0.0 109.705 -174.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.62 -25.97 3.91 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.988 1.715 . . . . 0.0 110.78 -172.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.78 10.92 14.74 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.202 1.382 . . . . 0.0 115.872 164.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -109.04 76.21 0.99 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.846 1.823 . . . . 0.0 108.578 -166.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.82 116.84 9.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 173.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.5 -157.9 12.61 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.252 0.93 . . . . 0.0 111.251 -173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -61.4 82.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.235 1.814 . . . . 0.0 111.717 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -58.88 127.77 33.86 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.356 1.462 . . . . 0.0 109.192 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.72 152.96 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 150.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.0 mt -144.87 122.23 11.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -128.39 121.85 30.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.388 1.475 . . . . 0.0 107.113 -174.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -63.5 102.3 0.41 Allowed 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.612 1.165 . . . . 0.0 108.949 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.92 120.91 21.1 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.873 0.844 . . . . 0.0 110.996 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.03 -27.34 18.69 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.519 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -131.66 25.98 4.71 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.152 0.981 . . . . 0.0 110.285 -172.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 148.32 51.01 Favored 'General case' 0 CA--C 1.512 -0.513 0 O-C-N 120.526 -1.359 . . . . 0.0 107.41 166.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mt -78.11 95.18 4.84 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -137.94 10.12 2.83 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.385 0.674 . . . . 0.0 112.771 -168.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -135.28 155.25 50.93 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 124.606 1.162 . . . . 0.0 109.288 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.8 mt -131.33 162.45 30.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 127.417 2.287 . . . . 0.0 108.096 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 41.9 p90 -149.36 161.89 41.17 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 165.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.82 125.51 44.22 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -76.05 168.4 28.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 122.847 0.459 . . . . 0.0 110.097 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.6 -11.07 15.71 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.259 1.973 . . . . 0.0 112.49 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.11 -35.93 74.48 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.007 0.923 . . . . 0.0 109.698 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.38 7.11 3.63 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.503 177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -107.08 133.5 51.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.142 1.377 . . . . 0.0 108.395 -167.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.4 t -74.33 109.11 6.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 N-CA-C 105.477 -2.046 . . . . 0.0 105.477 164.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -86.8 165.16 16.21 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.351 0.596 . . . . 0.0 109.621 175.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.32 -148.74 18.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.902 168.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.5 172.09 36.39 Favored 'Cis proline' 0 N--CA 1.453 -0.874 0 C-N-CA 124.144 -1.19 . . . . 0.0 112.648 -2.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -137.4 157.23 47.04 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 125.801 1.641 . . . . 0.0 109.845 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.08 148.78 25.55 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.12 1.768 . . . . 0.0 110.605 176.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.29 -27.12 67.68 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 118.826 -1.15 . . . . 0.0 110.468 -172.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -64.72 -41.32 96.07 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 118.76 0.709 . . . . 0.0 110.181 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -66.09 -53.21 40.91 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.9 mt -57.01 -44.54 82.91 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.085 0.402 . . . . 0.0 111.573 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -61.39 -52.68 63.58 Favored 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 123.222 0.609 . . . . 0.0 109.835 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.1 -22.85 67.01 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -83.68 -28.87 28.04 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.942 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -62.92 -44.65 95.49 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.421 1.009 . . . . 0.0 108.444 166.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.99 -19.49 65.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.591 2.356 . . . . 0.0 111.877 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.86 7.31 28.07 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.918 1.687 . . . . 0.0 111.173 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.84 15.36 5.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.672 1.589 . . . . 0.0 114.975 175.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -67.98 11.45 0.15 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.854 1.662 . . . . 0.0 112.96 166.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -139.74 158.56 43.91 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.444 1.897 . . . . 0.0 108.333 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 p -80.74 167.97 19.36 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.07 1.348 . . . . 0.0 110.177 -176.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -71.67 -31.73 67.1 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.173 -0.955 . . . . 0.0 112.083 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -106.69 39.6 1.81 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.251 1.42 . . . . 0.0 111.372 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -78.2 142.03 38.22 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 120.895 -1.128 . . . . 0.0 111.345 -169.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.46 157.73 31.31 Favored 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 121.557 -0.714 . . . . 0.0 112.751 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.61 160.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 127.317 2.247 . . . . 0.0 108.793 -175.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.527 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 32.4 p90 -140.51 160.22 40.48 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.718 0.807 . . . . 0.0 108.934 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.8 mtt -71.02 158.22 36.88 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.499 0.72 . . . . 0.0 111.28 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.8 p -57.81 138.61 55.45 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 121.918 -0.489 . . . . 0.0 110.278 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.83 -31.42 2.78 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 117.772 -1.571 . . . . 0.0 112.929 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.73 168.34 19.57 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 119.947 1.874 . . . . 0.0 112.069 -170.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 p -73.67 126.19 29.76 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 125.365 1.466 . . . . 0.0 110.527 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 20.0 ttm -53.13 -37.51 61.86 Favored 'General case' 0 C--O 1.226 -0.133 0 C-N-CA 123.675 0.79 . . . . 0.0 110.634 163.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -67.0 -9.15 35.73 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.42 19.57 14.66 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.559 1.072 . . . . 0.0 110.447 172.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.09 160.11 2.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.292 1.437 . . . . 0.0 110.866 171.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.2 m -128.01 159.47 39.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 124.867 1.267 . . . . 0.0 109.157 -174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.15 119.88 9.81 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 tp -48.95 -36.51 17.62 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.943 0.777 . . . . 0.0 110.164 172.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.1 p -68.48 -23.6 64.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.845 0.858 . . . . 0.0 112.141 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -29.56 21.7 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.307 -0.871 . . . . 0.0 110.43 171.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.81 -36.08 68.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 O-C-N 120.744 -1.223 . . . . 0.0 109.368 168.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.9 -25.77 68.47 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.216 1.406 . . . . 0.0 113.804 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -81.2 -40.91 23.13 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.348 1.059 . . . . 0.0 110.163 171.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.12 -34.64 78.04 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.774 0.83 . . . . 0.0 110.214 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -68.81 112.95 5.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 170.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -151.95 154.06 25.31 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 108.17 -1.972 . . . . 0.0 108.17 168.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.44 96.19 1.03 Allowed 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.125 2.55 . . . . 0.0 108.756 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.5 m -140.64 133.84 29.58 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.29 177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.5 m -113.95 172.04 7.23 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.043 1.737 . . . . 0.0 109.113 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.798 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -174.187 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.87 0 CA-C-O 118.704 -1.053 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -62.59 90.69 0.04 OUTLIER 'General case' 0 C--O 1.232 0.179 0 C-N-CA 125.279 1.431 . . . . 0.0 109.867 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 p -93.2 176.44 6.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 125.152 1.381 . . . . 0.0 109.553 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.99 124.19 33.33 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -115.25 174.17 6.13 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.947 1.699 . . . . 0.0 107.912 162.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -150.99 112.07 4.33 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 121.126 -0.984 . . . . 0.0 109.243 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.45 -107.72 2.41 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.883 -0.954 . . . . 0.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.0 t -51.12 107.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 126.588 1.955 . . . . 0.0 110.917 -162.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.78 170.57 7.91 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.019 1.728 . . . . 0.0 110.539 173.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 p -139.11 150.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 161.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.3 mt -139.7 118.36 12.32 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 172.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -120.71 142.14 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -70.11 115.2 9.04 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.86 138.95 55.21 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 167.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -133.21 -27.55 1.59 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 117.837 -1.078 . . . . 0.0 112.634 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -90.93 -24.99 20.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.96 0.904 . . . . 0.0 111.582 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -88.02 158.13 18.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.11 96.37 9.42 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 106.572 -1.64 . . . . 0.0 106.572 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -134.88 -6.58 2.41 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -111.73 116.68 31.14 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.11 0.868 . . . . 0.0 110.351 -173.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.6 mt -90.46 155.29 19.02 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -147.36 148.49 31.41 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.501 0.72 . . . . 0.0 109.257 168.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HE2' ' CE ' ' A' ' 60' ' ' MET . 1.3 tttm -89.32 128.98 35.93 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 171.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 23.7 p30 -81.5 -179.81 1.62 Allowed Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 123.908 0.883 . . . . 0.0 110.005 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 88.6 Cg_endo -80.4 -11.68 13.03 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.039 1.826 . . . . 0.0 112.986 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.34 -29.52 63.89 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.83 0.741 . . . . 0.0 109.026 170.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.58 12.46 30.53 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.038 1.78 . . . . 0.0 111.682 -177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.36 142.73 27.66 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 120.135 1.967 . . . . 0.0 107.997 177.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.2 t -74.73 104.35 3.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -90.94 155.16 18.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.689 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.69 -160.02 14.18 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 123.785 0.707 . . . . 0.0 112.412 165.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -76.73 171.3 68.8 Favored 'Cis proline' 0 N--CA 1.461 -0.436 0 CA-C-N 118.228 1.014 . . . . 0.0 112.668 8.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -138.03 161.82 35.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 126.368 1.867 . . . . 0.0 110.598 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.05 145.78 46.32 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.917 1.287 . . . . 0.0 108.83 166.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 50.0 mt -57.94 -35.87 71.71 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -64.43 -37.9 89.15 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-O 118.395 -0.812 . . . . 0.0 110.694 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -63.97 -47.95 78.39 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.561 1.073 . . . . 0.0 110.012 173.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.9 mt -58.03 -42.51 85.5 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.083 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -57.32 -51.91 67.49 Favored 'General case' 0 C--O 1.227 -0.081 0 CA-C-O 117.554 -1.212 . . . . 0.0 109.833 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.45 85.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 119.438 1.017 . . . . 0.0 110.962 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -62.13 -43.25 99.25 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.339 0.518 . . . . 0.0 111.185 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -60.64 -43.51 97.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.155 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.26 -40.08 82.02 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.296 1.838 . . . . 0.0 111.53 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.61 9.03 5.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.074 1.749 . . . . 0.0 111.487 171.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 58.28 27.39 15.17 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.743 2.017 . . . . 0.0 114.649 169.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -61.76 -7.12 3.16 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.203 1.401 . . . . 0.0 113.008 169.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -131.6 173.52 11.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 126.276 1.83 . . . . 0.0 109.066 -160.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.9 p -95.18 166.76 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.442 1.097 . . . . 0.0 108.639 -163.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.45 7.1 42.81 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 120.81 -1.181 . . . . 0.0 111.809 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -141.37 70.26 1.34 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 155.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -86.68 140.43 29.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.881 0.872 . . . . 0.0 109.307 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -127.58 160.65 30.91 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.436 0.695 . . . . 0.0 112.084 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 m -143.95 153.8 15.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 126.244 1.818 . . . . 0.0 109.077 -175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 25.2 p90 -148.82 157.48 43.47 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.536 0.734 . . . . 0.0 110.925 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 55.0 mtt -72.7 162.52 29.38 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 123.185 1.469 . . . . 0.0 112.228 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.2 p -59.48 127.24 31.09 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.942 -1.027 . . . . 0.0 108.963 173.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -17.77 41.42 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 118.773 -1.015 . . . . 0.0 113.037 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -66.99 164.89 16.72 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.304 1.552 . . . . 0.0 110.345 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 145.24 37.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 166.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.441 ' CE ' ' HE2' ' A' ' 23' ' ' LYS . 47.0 ttm -58.85 -31.44 68.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 167.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -77.55 -8.5 57.91 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.633 -0.667 . . . . 0.0 112.67 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.8 m -92.46 8.16 39.89 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.402 1.001 . . . . 0.0 111.607 163.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 164.41 11.71 Favored 'General case' 0 C--N 1.345 0.373 0 CA-C-N 119.583 1.083 . . . . 0.0 111.216 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.9 m -135.29 161.14 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 124.836 1.254 . . . . 0.0 109.854 -176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.93 124.17 23.0 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.7 tp -52.71 -31.67 38.91 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.832 0.708 . . . . 0.0 111.34 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.24 -41.23 98.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.891 0.853 . . . . 0.0 110.802 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -36.8 72.02 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 121.66 -0.65 . . . . 0.0 109.695 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 49.4 t -69.81 -31.32 47.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 124.085 0.954 . . . . 0.0 110.609 176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -50.27 74.23 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.684 1.193 . . . . 0.0 109.726 169.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -59.42 -47.12 86.67 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.752 0.821 . . . . 0.0 111.455 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.78 -41.94 95.47 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.472 0.709 . . . . 0.0 111.492 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.8 t -64.37 -35.66 81.6 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.542 -0.724 . . . . 0.0 110.502 173.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 -177.6 54.18 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.353 0.978 . . . . 0.0 111.011 -175.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.89 111.34 2.6 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.473 2.115 . . . . 0.0 110.997 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 p -151.08 154.61 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.73 1.212 . . . . 0.0 107.795 157.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 m 30.33 77.89 0.03 OUTLIER 'General case' 0 C--O 1.237 0.404 0 C-N-CA 128.313 2.645 . . . . 0.0 114.291 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.736 0 N-CA-C 105.328 -3.109 . . . . 0.0 105.328 175.113 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.869 0 N-CA-C 108.688 -1.765 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -138.43 122.7 18.19 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 171.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 58.47 -171.6 0.11 Allowed 'General case' 0 C--O 1.241 0.641 0 C-N-CA 125.391 1.476 . . . . 0.0 111.945 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.79 -108.51 0.73 Allowed Glycine 0 C--N 1.334 0.452 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m 58.37 177.02 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.27 1.428 . . . . 0.0 113.028 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t 53.99 18.61 1.73 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.169 1.388 . . . . 0.0 112.012 -174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.87 -158.61 23.17 Favored Glycine 0 C--N 1.337 0.637 0 O-C-N 120.822 -1.174 . . . . 0.0 110.682 -152.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.258 0.9 OUTLIER 69.09 133.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 C-N-CA 127.958 2.503 . . . . 0.0 112.222 171.438 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.57 167.44 25.39 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 120.616 -1.303 . . . . 0.0 109.161 170.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 m -69.2 161.65 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 165.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 mt -120.62 102.22 8.27 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 165.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.72 154.77 28.97 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.124 1.77 . . . . 0.0 107.619 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -102.68 102.65 12.86 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.64 123.8 27.12 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -95.55 -15.56 22.76 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 116.86 -1.543 . . . . 0.0 112.566 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -100.8 -50.47 3.84 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 120.332 1.424 . . . . 0.0 111.189 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.47 161.56 30.85 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 119.079 0.854 . . . . 0.0 110.892 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -84.17 102.2 12.42 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -132.31 0.48 3.73 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -122.64 119.56 31.13 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 118.824 0.738 . . . . 0.0 109.72 -171.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.6 mt -93.67 164.45 13.15 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 126.745 2.018 . . . . 0.0 109.598 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -150.68 161.53 42.42 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.453 0.701 . . . . 0.0 109.754 163.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -101.72 139.32 37.53 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.806 1.242 . . . . 0.0 109.91 165.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 0.9 OUTLIER -109.47 174.52 2.36 Favored Pre-proline 0 C--O 1.24 0.574 0 C-N-CA 123.844 0.858 . . . . 0.0 109.715 -176.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 56.4 Cg_endo -80.24 45.02 1.85 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 125.184 3.923 . . . . 0.0 110.09 175.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -124.25 -18.68 5.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 129.729 3.212 . . . . 0.0 108.989 168.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.67 13.55 80.31 Favored Glycine 0 C--N 1.342 0.876 0 C-N-CA 124.149 0.881 . . . . 0.0 112.532 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.56 149.21 21.78 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 163.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.4 t -78.95 141.68 15.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 159.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -118.59 166.64 12.47 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.749 0.785 . . . . 0.0 110.476 173.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.27 -163.51 37.59 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.114 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -77.76 168.45 76.17 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.854 -1.311 . . . . 0.0 114.609 21.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.32 160.82 37.2 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.89 2.076 . . . . 0.0 109.087 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.2 p -92.41 155.72 17.69 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.96 0.904 . . . . 0.0 110.935 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.27 -27.41 68.62 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.643 -0.694 . . . . 0.0 111.67 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.7 m -62.99 -48.15 80.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.001 0.818 . . . . 0.0 109.393 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.02 -50.45 73.69 Favored 'General case' 0 C--N 1.338 0.1 0 C-N-CA 122.512 0.325 . . . . 0.0 110.134 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.6 mt -63.52 -42.46 98.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.691 0.397 . . . . 0.0 111.438 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.1 tttp -54.32 -52.69 60.74 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.206 1.002 . . . . 0.0 110.36 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.43 78.37 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.528 0.731 . . . . 0.0 112.723 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.2 m0 -77.25 -34.24 55.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.987 0.915 . . . . 0.0 111.655 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -59.47 -46.02 89.98 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 168.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -48.13 79.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 124.419 1.088 . . . . 0.0 110.804 177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.86 11.83 0.34 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.249 1.82 . . . . 0.0 114.027 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 51.97 37.21 20.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.149 1.779 . . . . 0.0 112.206 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -73.39 -36.56 66.05 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.827 -1.171 . . . . 0.0 110.109 162.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -110.33 -171.13 1.77 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.779 0.831 . . . . 0.0 111.233 -167.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -134.42 165.18 25.76 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.763 0.825 . . . . 0.0 109.587 -169.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -62.55 -8.24 6.03 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.549 1.94 . . . . 0.0 113.394 168.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -126.23 24.14 6.9 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.617 1.567 . . . . 0.0 109.538 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -82.98 142.33 31.45 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.799 1.24 . . . . 0.0 108.719 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.14 160.06 35.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.729 0.812 . . . . 0.0 111.764 -178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.3 m -140.39 150.03 21.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 124.823 1.249 . . . . 0.0 110.653 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.453 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 31.9 p90 -131.44 159.26 38.57 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.606 1.163 . . . . 0.0 110.238 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.0 mtt -77.28 157.78 30.57 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.142 0.496 . . . . 0.0 110.691 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.7 p -61.19 119.24 8.02 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.55 -0.719 . . . . 0.0 111.714 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.41 -10.3 75.15 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.313 0.959 . . . . 0.0 112.792 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -79.8 165.15 23.04 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 118.502 1.151 . . . . 0.0 108.82 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -83.57 152.21 24.98 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.404 0.621 . . . . 0.0 109.632 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.453 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 22.5 ttm -60.89 -28.44 68.89 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.088 1.355 . . . . 0.0 112.31 176.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -29.84 70.44 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.255 -1.528 . . . . 0.0 110.428 176.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 t -75.51 2.18 12.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.417 1.487 . . . . 0.0 111.332 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 147.54 53.23 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 120.5 -1.375 . . . . 0.0 110.453 175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.03 161.84 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.858 1.263 . . . . 0.0 108.724 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.9 120.71 10.7 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.26 1.024 . . . . 0.0 108.316 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.25 -31.24 53.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.08 0.552 . . . . 0.0 110.361 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 p -67.22 -23.33 65.71 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.998 0.919 . . . . 0.0 111.998 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.98 -37.67 16.18 Favored 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 173.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.76 -30.68 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 119.204 0.911 . . . . 0.0 111.011 172.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -47.63 85.11 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 120.903 -1.123 . . . . 0.0 110.832 170.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -60.94 -46.83 89.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.872 -1.142 . . . . 0.0 110.27 174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.66 0.16 5.94 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.918 1.287 . . . . 0.0 112.917 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -146.8 86.9 1.67 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 169.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -111.15 151.81 17.68 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -70.85 166.97 27.21 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 122.396 2.064 . . . . 0.0 109.072 167.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.5 t -65.66 164.85 13.57 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.911 0.778 . . . . 0.0 111.452 -172.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t 52.27 -161.64 0.09 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.454 1.102 . . . . 0.0 109.943 -157.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.81 0 C-N-CA 126.913 2.197 . . . . 0.0 114.171 179.003 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.1 -178.75 4.28 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 125.944 1.698 . . . . 0.0 109.529 164.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -134.46 96.72 3.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -173.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.73 -82.6 0.3 Allowed Glycine 0 C--N 1.333 0.412 0 CA-C-O 118.444 -1.198 . . . . 0.0 111.285 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m 33.21 71.31 0.09 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.691 1.596 . . . . 0.0 110.869 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 m -54.4 107.94 0.33 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.538 1.535 . . . . 0.0 110.418 -171.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.32 -79.26 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 105.856 -2.898 . . . . 0.0 105.856 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.5 m -124.78 -155.9 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 125.439 1.496 . . . . 0.0 109.383 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.9 mmt-85 -69.49 141.81 53.87 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 121.331 -0.855 . . . . 0.0 108.704 163.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.0 149.92 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 151.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -137.21 123.98 21.21 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.3 t -130.59 159.71 36.36 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.429 1.092 . . . . 0.0 110.516 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.81 101.08 11.84 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 106.106 -1.812 . . . . 0.0 106.106 175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.65 123.32 47.94 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -101.73 9.36 41.01 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 123.574 0.75 . . . . 0.0 112.498 -172.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -100.1 -72.46 0.67 Allowed 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -63.32 144.12 57.22 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.315 0.578 . . . . 0.0 111.603 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.699 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -65.49 120.31 12.64 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 166.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -149.01 5.71 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -124.16 127.86 48.39 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 124.361 1.064 . . . . 0.0 108.917 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.01 159.93 14.8 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 127.601 2.36 . . . . 0.0 108.352 177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -155.35 166.33 33.87 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.79 126.86 51.22 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.124 1.37 . . . . 0.0 108.407 169.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.25 169.34 16.45 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 118.66 0.664 . . . . 0.0 109.405 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -51.97 -24.51 19.43 Favored 'Trans proline' 0 C--N 1.349 0.584 1 C-N-CA 125.526 4.151 . . . . 0.0 114.158 176.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.98 -17.46 64.69 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.132 1.373 . . . . 0.0 112.128 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.97 -12.07 68.71 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.729 1.157 . . . . 0.0 112.475 -174.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.55 134.52 43.8 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 118.659 1.229 . . . . 0.0 107.846 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.0 t -69.95 136.63 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 158.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.4 162.02 18.61 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.83 -165.15 13.29 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 114.049 0.38 . . . . 0.0 114.049 163.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.13 171.14 69.6 Favored 'Cis proline' 0 CA--C 1.535 0.531 0 C-N-CA 124.996 -0.835 . . . . 0.0 114.234 12.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -134.95 167.69 20.47 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 126.334 1.854 . . . . 0.0 109.473 175.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -87.2 157.52 19.33 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 72.1 mt -58.95 -36.26 74.51 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 118.615 -0.707 . . . . 0.0 111.152 173.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.2 m -65.23 -46.92 78.67 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.927 1.291 . . . . 0.0 111.219 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -62.47 -46.05 90.24 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.692 0.678 . . . . 0.0 109.551 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.16 -43.97 96.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.474 0.71 . . . . 0.0 110.479 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -56.31 -46.25 79.93 Favored 'General case' 0 N--CA 1.461 0.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.821 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.08 -48.01 83.66 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.567 0.622 . . . . 0.0 111.619 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.6 m0 -59.14 -36.31 75.0 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.73 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 t -62.66 -45.73 91.48 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.598 175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -77.9 -13.43 59.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.537 0.608 . . . . 0.0 111.878 -171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.54 47.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.697 1.599 . . . . 0.0 112.108 167.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 52.4 52.43 14.2 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.466 2.306 . . . . 0.0 113.423 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -82.97 11.48 6.11 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.208 1.403 . . . . 0.0 113.02 167.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -122.74 -161.92 0.98 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.249 1.42 . . . . 0.0 111.444 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.8 p -128.67 162.28 27.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.619 1.168 . . . . 0.0 109.535 -171.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -1.43 3.74 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -144.08 48.74 1.38 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.43 1.468 . . . . 0.0 108.225 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -84.17 136.15 34.09 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.513 0.673 . . . . 0.0 109.871 -174.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 162.92 28.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.329 1.051 . . . . 0.0 111.271 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.2 m -142.75 150.18 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 125.424 1.49 . . . . 0.0 107.673 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.9 p90 -129.06 157.43 41.76 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.5 mtt -72.67 165.89 23.87 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 122.108 0.956 . . . . 0.0 110.691 175.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 40.6 p -59.1 155.72 13.33 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.488 0.661 . . . . 0.0 109.809 168.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.57 -26.18 0.48 Allowed Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.458 1.028 . . . . 0.0 114.525 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.12 162.24 25.95 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 119.612 1.706 . . . . 0.0 112.202 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.2 t -73.0 155.51 39.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.111 0.964 . . . . 0.0 108.739 169.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.49 -33.57 69.94 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.354 0.662 . . . . 0.0 111.086 168.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -30.34 70.27 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.403 -0.811 . . . . 0.0 110.988 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -75.33 4.98 6.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.818 2.047 . . . . 0.0 112.339 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.16 149.55 48.49 Favored 'General case' 0 N--CA 1.451 -0.396 0 O-C-N 120.771 -1.205 . . . . 0.0 110.175 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.53 160.18 23.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 C-N-CA 125.406 1.482 . . . . 0.0 109.306 178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.72 129.18 40.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.37 -32.43 62.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.934 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 p -67.1 -31.96 72.79 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.606 -0.684 . . . . 0.0 111.814 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -73.17 -47.55 42.87 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.14 -42.74 73.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.459 1.104 . . . . 0.0 111.638 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -46.68 87.75 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.348 1.059 . . . . 0.0 111.485 176.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -51.67 69.03 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.377 1.071 . . . . 0.0 109.7 174.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.17 -32.16 73.49 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.614 0.643 . . . . 0.0 111.901 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 m -93.74 25.52 3.53 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.26 -179.75 35.32 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 124.02 0.819 . . . . 0.0 111.955 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -80.21 57.32 6.45 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 124.759 3.64 . . . . 0.0 112.368 -175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 m -135.25 169.69 17.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 122.978 0.511 . . . . 0.0 111.35 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.6 p -68.37 173.16 5.11 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.204 1.002 . . . . 0.0 110.013 167.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 177.329 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.915 0 N-CA-C 106.167 -2.773 . . . . 0.0 106.167 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.7 p -67.82 -173.8 0.39 Allowed 'General case' 0 C--O 1.244 0.765 0 CA-C-N 118.341 1.071 . . . . 0.0 109.037 151.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -147.59 -158.14 0.88 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.611 1.564 . . . . 0.0 107.528 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.51 102.34 2.9 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t 48.06 95.87 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.5 2.32 . . . . 0.0 113.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -123.82 85.17 2.38 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.41 1.084 . . . . 0.0 110.088 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.82 33.85 0.88 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.292 0.948 . . . . 0.0 113.589 -167.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 t -62.13 105.25 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 125.431 1.492 . . . . 0.0 107.311 173.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.97 165.09 11.84 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.308 1.043 . . . . 0.0 108.59 159.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.36 163.21 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 C-N-CA 124.736 1.214 . . . . 0.0 108.127 170.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 mt -138.71 75.15 1.5 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.833 0.825 . . . . 0.0 110.251 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.32 160.54 30.2 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 123.948 0.899 . . . . 0.0 110.905 173.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -93.06 103.05 15.38 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.363 1.465 . . . . 0.0 110.604 -171.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.69 98.89 2.01 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 122.142 0.972 . . . . 0.0 110.6 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -93.18 -6.62 47.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 117.818 -1.086 . . . . 0.0 111.863 171.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -124.79 -15.86 6.35 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 120.448 1.476 . . . . 0.0 114.064 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -109.19 151.44 26.48 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 120.079 1.308 . . . . 0.0 109.005 171.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.652 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.86 99.4 4.47 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 177.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -131.56 -11.2 3.54 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -104.49 115.15 29.85 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.582 1.083 . . . . 0.0 109.791 -171.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.08 154.89 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 125.701 1.601 . . . . 0.0 107.496 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 21.1 p90 -140.54 160.9 39.0 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 165.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -101.08 148.71 24.75 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 162.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.0 OUTLIER -119.44 178.39 1.11 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.098 0.959 . . . . 0.0 109.146 -176.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 69.8 Cg_endo -71.43 -11.63 28.63 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.638 2.892 . . . . 0.0 111.563 178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -64.57 -22.12 66.88 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.523 1.129 . . . . 0.0 110.482 168.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.48 -6.94 74.94 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 126.618 2.056 . . . . 0.0 112.81 -172.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.29 140.26 43.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.748 1.274 . . . . 0.0 108.528 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.68 134.56 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 152.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -120.14 170.38 9.36 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.83 1.652 . . . . 0.0 109.03 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -161.32 31.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -77.17 170.86 70.4 Favored 'Cis proline' 0 N--CA 1.452 -0.914 0 CA-C-N 118.402 1.101 . . . . 0.0 112.568 15.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' CE2' ' CE2' ' A' ' 22' ' ' TYR . 74.6 m-85 -140.05 160.43 39.94 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.459 1.903 . . . . 0.0 108.753 -172.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.4 p -86.34 153.59 21.84 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.006 0.432 . . . . 0.0 110.61 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.21 -24.59 67.95 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 m -76.46 -37.0 57.58 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.672 1.124 . . . . 0.0 110.728 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HB3' ' CH2' ' A' ' 41' ' ' TRP . 61.1 mt-30 -57.61 -49.98 74.64 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.89 -35.73 79.23 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.578 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -60.46 -53.6 55.57 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.467 1.03 . . . . 0.0 110.305 170.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.0 86.17 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 118.721 0.692 . . . . 0.0 111.348 -174.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 37' ' ' GLN . 21.2 m0 -67.0 -41.17 87.16 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 122.54 0.336 . . . . 0.0 110.846 176.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.4 t -64.35 -38.02 89.56 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.3 -0.875 . . . . 0.0 110.903 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.06 -29.42 70.31 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 126.181 1.792 . . . . 0.0 111.125 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.16 11.34 21.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.828 1.651 . . . . 0.0 112.682 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 52.65 31.0 9.47 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.165 1.786 . . . . 0.0 113.88 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -57.27 -31.63 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.425 -0.797 . . . . 0.0 110.462 168.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CD1' ' CE2' ' A' ' 51' ' ' PHE . 18.5 m-85 -124.04 167.09 14.65 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.757 1.223 . . . . 0.0 110.188 -162.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 p -108.41 174.66 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.145 1.378 . . . . 0.0 110.108 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -68.35 -5.08 16.85 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.485 1.114 . . . . 0.0 113.776 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.93 31.17 5.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.043 -177.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.4 ' CE2' ' CD1' ' A' ' 47' ' ' PHE . 38.1 t80 -86.09 103.21 14.55 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.096 -1.002 . . . . 0.0 109.122 -172.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.72 159.2 19.23 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 120.64 -1.287 . . . . 0.0 112.116 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.18 154.64 23.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 127.077 2.151 . . . . 0.0 108.305 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 25.1 p90 -141.85 156.06 45.54 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 123.838 0.855 . . . . 0.0 108.89 175.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 43.9 mtt -73.09 157.39 37.38 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.4 p -61.58 150.53 35.87 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 84.86 -27.74 4.77 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.947 -0.918 . . . . 0.0 112.149 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -94.26 169.69 10.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.439 1.62 . . . . 0.0 110.958 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 122.58 1.181 . . . . 0.0 110.423 -174.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 31.5 ttm -74.8 -34.02 62.33 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.951 1.3 . . . . 0.0 111.255 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.06 -38.77 90.04 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.549 -0.719 . . . . 0.0 110.362 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 t -72.9 -3.53 26.32 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.701 2.001 . . . . 0.0 112.49 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.74 144.01 55.34 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 120.186 1.357 . . . . 0.0 111.004 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.6 m -107.25 166.86 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 126.367 1.867 . . . . 0.0 108.779 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.75 133.63 38.24 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.57 -1.331 . . . . 0.0 109.173 -177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.26 -33.46 69.42 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.702 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.19 -34.46 78.42 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.766 1.167 . . . . 0.0 111.757 178.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.7 -53.3 19.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 123.908 0.883 . . . . 0.0 108.875 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.79 -27.15 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 122.592 0.357 . . . . 0.0 110.661 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -39.11 87.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.709 1.204 . . . . 0.0 111.571 170.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -66.92 -46.66 74.12 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.358 173.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.13 -52.43 55.33 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 123.24 0.616 . . . . 0.0 110.549 -174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -80.65 48.17 1.03 Allowed 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.595 -1.315 . . . . 0.0 109.885 170.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.63 129.18 5.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -65.2 104.39 0.6 Allowed 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.491 2.127 . . . . 0.0 108.348 168.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 t -150.4 103.24 3.12 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 103.776 -2.676 . . . . 0.0 103.776 168.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m -76.76 -24.03 52.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.755 0.422 . . . . 0.0 111.895 -175.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.308 0 N-CA-C 105.804 -2.919 . . . . 0.0 105.804 -175.576 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.745 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p -66.96 167.74 11.16 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 159.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -109.59 -162.78 0.82 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.963 0.905 . . . . 0.0 109.035 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.02 -149.78 9.42 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.143 -2.383 . . . . 0.0 107.143 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -161.34 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.731 1.212 . . . . 0.0 110.917 173.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -47.51 -31.99 4.83 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.749 1.62 . . . . 0.0 115.355 -161.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.06 170.04 41.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.5 m -97.74 56.66 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 124.526 1.131 . . . . 0.0 108.893 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 mtp-105 58.81 69.05 0.76 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.658 1.983 . . . . 0.0 110.901 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.6 t -146.53 134.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 125.693 1.597 . . . . 0.0 107.947 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 mt -147.83 118.78 7.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.921 1.688 . . . . 0.0 108.502 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 149.3 38.56 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 161.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -65.68 139.72 58.41 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 159.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -79.63 98.2 6.83 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -99.93 -18.05 17.28 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 117.235 -1.364 . . . . 0.0 112.84 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -120.25 12.27 11.74 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.197 1.362 . . . . 0.0 112.051 -173.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -127.71 151.39 49.03 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 165.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.29 93.21 1.46 Allowed 'General case' 0 N--CA 1.437 -1.112 0 C-N-CA 125.411 1.484 . . . . 0.0 109.4 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.67 3.53 4.55 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -128.27 121.42 29.27 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-N 118.871 0.76 . . . . 0.0 110.535 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.1 mt -90.86 159.78 16.07 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 127.855 2.462 . . . . 0.0 109.18 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 14.9 p90 -149.69 165.77 31.35 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.889 0.476 . . . . 0.0 110.507 165.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.58 120.59 42.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.024 1.329 . . . . 0.0 110.012 167.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' CG ' ' HD2' ' A' ' 25' ' ' PRO . 1.2 t0 -76.11 -178.9 1.0 Allowed Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.441 1.096 . . . . 0.0 108.745 173.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 24' ' ' ASP . 16.7 Cg_endo -86.24 40.38 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.626 3.551 . . . . 0.0 109.771 172.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -120.12 -5.22 10.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.675 1.59 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.32 0.88 63.01 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 126.135 1.826 . . . . 0.0 113.709 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.41 128.27 34.66 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.122 1.769 . . . . 0.0 107.816 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.98 128.35 26.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 155.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -104.67 160.0 15.32 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.181 0.993 . . . . 0.0 108.636 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.61 -162.99 14.73 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 124.302 0.954 . . . . 0.0 112.127 168.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.96 167.76 77.66 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 124.777 -0.926 . . . . 0.0 113.184 10.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -134.61 155.02 51.21 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 126.808 2.043 . . . . 0.0 108.419 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 147.46 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 167.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.51 -31.74 69.65 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.982 -0.449 . . . . 0.0 110.86 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 m -59.47 -46.78 87.82 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.218 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.97 -42.75 89.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.958 0.503 . . . . 0.0 111.316 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.97 -41.81 98.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.075 0.55 . . . . 0.0 110.695 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -59.88 -46.28 89.82 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 118.713 0.688 . . . . 0.0 110.287 173.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.06 82.22 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.2 0.455 . . . . 0.0 111.7 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -67.96 -44.52 76.54 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.874 -0.584 . . . . 0.0 111.196 173.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 t -59.54 -40.82 88.44 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.551 0.741 . . . . 0.0 109.287 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.48 -30.6 53.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.852 2.061 . . . . 0.0 111.868 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.3 2.67 39.99 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.638 1.975 . . . . 0.0 112.515 -172.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 71.45 20.06 4.99 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.567 2.347 . . . . 0.0 113.278 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -69.63 -2.99 13.14 Favored 'General case' 0 CA--C 1.552 1.043 0 O-C-N 120.632 -1.292 . . . . 0.0 113.753 176.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -131.93 -179.4 5.38 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 127.904 2.481 . . . . 0.0 108.938 -176.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.6 p -105.51 164.28 12.01 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.653 1.581 . . . . 0.0 110.129 -172.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -70.13 7.57 0.95 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.676 1.19 . . . . 0.0 113.801 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -142.06 28.44 1.72 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.245 1.818 . . . . 0.0 109.864 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.65 143.62 34.49 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 120.923 -1.11 . . . . 0.0 111.12 -169.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -125.08 164.99 19.01 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 124.185 0.994 . . . . 0.0 112.76 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 m -138.69 157.16 29.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 126.31 1.844 . . . . 0.0 108.819 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.486 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 29.8 p90 -137.78 159.86 40.83 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 171.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.1 mtt -68.74 156.22 38.68 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.045 1.338 . . . . 0.0 111.006 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 p -54.13 102.46 0.06 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 124.582 1.153 . . . . 0.0 109.809 170.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.34 -5.7 59.06 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 117.29 -1.839 . . . . 0.0 114.382 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.41 168.17 19.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 120.231 2.015 . . . . 0.0 110.094 170.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.93 138.54 36.12 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 123.497 0.719 . . . . 0.0 109.653 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.486 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 29.8 ttm -58.59 -26.31 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 124.836 1.254 . . . . 0.0 113.586 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -72.62 -17.48 61.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 118.115 -0.945 . . . . 0.0 112.821 179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.0 m -95.73 15.5 19.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.036 1.734 . . . . 0.0 111.555 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.76 131.42 46.26 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.87 -1.144 . . . . 0.0 110.583 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -96.6 160.77 2.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 124.275 1.03 . . . . 0.0 109.515 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.3 mt -59.7 120.34 9.31 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 124.587 1.155 . . . . 0.0 108.144 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.5 tp -53.44 -33.72 55.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.385 171.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -32.53 71.65 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.684 0.674 . . . . 0.0 111.936 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.08 -47.32 71.6 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.376 -0.827 . . . . 0.0 109.101 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.24 -39.82 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.093 1.357 . . . . 0.0 110.578 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.15 -37.97 78.6 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.465 1.106 . . . . 0.0 112.082 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -65.28 -58.63 5.47 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 168.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.8 mt -57.87 -48.46 79.75 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.329 0.652 . . . . 0.0 112.682 -166.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.8 m -79.22 60.01 2.94 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 125.083 1.353 . . . . 0.0 111.641 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.53 166.1 26.59 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 159.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.55 129.02 16.09 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.715 2.277 . . . . 0.0 109.651 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -63.27 135.86 57.33 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.07 -19.93 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.07 0.948 . . . . 0.0 111.992 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.438 0 N-CA-C 105.801 -2.92 . . . . 0.0 105.801 178.375 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.0 p -61.09 108.15 0.84 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.738 0.815 . . . . 0.0 110.925 -173.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -144.54 121.64 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.701 1.2 . . . . 0.0 108.942 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.18 125.33 2.56 Favored Glycine 0 C--N 1.335 0.478 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -147.33 164.65 32.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 117.904 0.852 . . . . 0.0 108.926 172.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -148.83 1.01 0.56 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.473 1.909 . . . . 0.0 110.959 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.54 -179.2 44.23 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.804 1.669 . . . . 0.0 109.147 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.3 t -113.29 106.47 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 174.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -84.74 163.74 18.97 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 164.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t 58.91 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 126.83 2.052 . . . . 0.0 111.735 -173.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -142.67 119.59 11.29 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 127.167 2.187 . . . . 0.0 105.863 167.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.61 154.34 40.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.557 1.543 . . . . 0.0 107.86 165.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -91.86 103.01 15.6 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 169.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -65.77 119.83 11.93 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -101.12 -15.49 17.38 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 117.276 -1.345 . . . . 0.0 112.358 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.52 -40.66 12.51 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 119.391 0.996 . . . . 0.0 109.722 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -85.27 157.15 20.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.593 0.558 . . . . 0.0 110.665 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -80.33 83.34 6.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -119.09 4.59 11.34 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -171.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -129.08 145.67 51.22 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.562 0.745 . . . . 0.0 109.754 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.7 mt -124.58 156.48 37.34 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.018 2.127 . . . . 0.0 107.533 -174.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -144.46 150.92 38.42 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 170.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.4 OUTLIER -95.12 123.18 38.47 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 171.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' HB2' ' HD2' ' A' ' 25' ' ' PRO . 8.8 p30 -77.87 177.21 2.89 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.454 1.101 . . . . 0.0 110.848 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 24' ' ' ASP . 91.7 Cg_endo -83.07 -0.73 10.11 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.036 2.491 . . . . 0.0 114.01 179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -82.17 -36.1 27.72 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 119.563 1.074 . . . . 0.0 109.09 169.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.6 19.45 4.53 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 118.207 -1.329 . . . . 0.0 112.253 -176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -109.49 144.04 38.29 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 119.76 1.78 . . . . 0.0 108.292 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -83.76 111.85 20.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 169.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -87.78 166.57 14.51 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.9 -161.95 21.96 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 172.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.88 164.77 86.69 Favored 'Cis proline' 0 N--CA 1.455 -0.771 0 C-N-CA 124.507 -1.039 . . . . 0.0 113.14 10.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -132.58 159.87 38.26 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.192 1.397 . . . . 0.0 108.201 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 p -82.03 149.57 28.04 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.485 1.114 . . . . 0.0 109.618 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.33 -33.36 71.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.913 0.778 . . . . 0.0 110.43 175.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.2 m -62.19 -29.44 70.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.337 0.655 . . . . 0.0 111.934 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -80.24 -50.98 9.48 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 119.235 0.925 . . . . 0.0 109.221 175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.2 mt -56.77 -42.96 80.31 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 123.911 0.884 . . . . 0.0 110.319 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -57.34 -54.64 44.54 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 123.827 0.851 . . . . 0.0 111.053 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.78 79.25 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 123.423 0.452 . . . . 0.0 111.442 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 32.2 m0 -64.96 -44.32 89.77 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.754 0.822 . . . . 0.0 110.213 170.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t -63.48 -36.91 85.32 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.375 -177.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -59.3 -50.51 73.72 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 119.288 0.949 . . . . 0.0 109.454 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.89 13.45 0.15 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.233 1.813 . . . . 0.0 113.724 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 70.27 4.96 5.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.862 2.465 . . . . 0.0 114.97 168.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -64.88 9.14 0.1 Allowed 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -172.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -126.5 178.9 5.59 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.609 1.564 . . . . 0.0 110.894 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 77.8 p -101.61 167.56 10.04 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.419 1.488 . . . . 0.0 110.43 -169.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -63.84 -24.63 67.83 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.752 -1.217 . . . . 0.0 112.31 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -129.75 57.93 1.66 Allowed 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -82.27 115.19 21.23 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.029 0.932 . . . . 0.0 108.511 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -97.72 167.77 10.75 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 119.113 0.869 . . . . 0.0 111.399 169.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.12 157.06 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 126.204 1.802 . . . . 0.0 107.748 169.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.44 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 18.6 p90 -136.81 164.45 28.25 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 170.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.1 mtt -78.14 160.32 28.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.288 0.566 . . . . 0.0 110.438 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -61.35 144.49 53.9 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.409 0.684 . . . . 0.0 109.554 174.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.11 -9.78 17.74 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.957 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -89.85 176.37 6.85 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 119.246 1.523 . . . . 0.0 111.588 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.57 128.42 33.36 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.348 2.259 . . . . 0.0 109.223 175.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.555 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 38.2 ttm -56.66 -41.09 76.63 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.947 0.499 . . . . 0.0 110.507 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.1 -22.76 66.07 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.088 -1.008 . . . . 0.0 112.453 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -83.91 5.02 26.94 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.983 1.265 . . . . 0.0 112.491 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.28 148.66 11.12 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.426 1.012 . . . . 0.0 111.537 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -119.9 160.08 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 125.695 1.598 . . . . 0.0 109.537 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.74 123.63 20.25 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.966 1.307 . . . . 0.0 108.077 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 67.4 tp -53.29 -31.06 42.04 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.798 0.439 . . . . 0.0 112.116 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.1 p -72.28 -20.96 61.43 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.873 0.76 . . . . 0.0 111.287 -173.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -83.8 -39.56 19.84 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 124.908 1.283 . . . . 0.0 108.784 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.95 -34.26 58.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.808 -0.558 . . . . 0.0 110.494 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -56.38 19.07 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.3 169.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -58.27 -40.9 83.06 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.414 1.086 . . . . 0.0 111.747 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.09 -43.93 97.14 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.3 t -93.44 44.14 1.13 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.789 1.636 . . . . 0.0 111.281 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 121.02 168.39 13.52 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.227 0.918 . . . . 0.0 112.488 166.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.48 81.12 1.85 Allowed 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.833 2.355 . . . . 0.0 110.965 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.5 m -149.89 134.4 17.47 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.402 1.481 . . . . 0.0 107.814 170.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.0 m -126.0 -7.08 6.62 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.002 1.321 . . . . 0.0 112.303 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.702 0 N-CA-C 105.776 -2.93 . . . . 0.0 105.776 -140.409 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -168.03 162.34 13.18 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.546 1.138 . . . . 0.0 108.917 177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -90.62 151.0 21.48 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 162.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.03 124.95 0.96 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 107.558 -2.217 . . . . 0.0 107.558 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -146.52 95.85 2.67 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -145.83 84.5 1.67 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 119.244 0.929 . . . . 0.0 109.83 170.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.91 62.73 6.04 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.1 t -73.21 70.95 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 126.406 1.883 . . . . 0.0 108.697 -175.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.28 0.1 OUTLIER 44.33 -159.54 0.02 OUTLIER 'General case' 0 C--O 1.234 0.262 0 C-N-CA 127.336 2.254 . . . . 0.0 112.837 -164.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.86 160.86 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 125.387 1.475 . . . . 0.0 108.751 173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.05 88.01 1.5 Allowed 'General case' 0 C--O 1.236 0.352 0 C-N-CA 123.732 0.813 . . . . 0.0 110.872 173.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m -74.82 147.01 41.54 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.507 -0.745 . . . . 0.0 109.232 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -58.34 138.95 56.1 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.309 1.044 . . . . 0.0 112.217 -166.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -72.21 99.31 2.33 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 125.989 1.716 . . . . 0.0 108.91 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -112.36 -17.57 12.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.121 -0.987 . . . . 0.0 113.028 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -115.27 1.16 13.72 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.742 1.217 . . . . 0.0 112.1 -170.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 162.85 15.84 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 166.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 mt -82.83 103.84 12.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -137.37 1.83 2.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -173.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -128.33 119.77 25.73 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 118.928 0.786 . . . . 0.0 110.663 -171.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.2 mt -90.85 156.74 17.79 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.136 2.174 . . . . 0.0 108.607 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -151.34 157.39 42.42 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 171.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -98.3 116.99 31.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.248 1.419 . . . . 0.0 108.778 169.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 175.79 4.4 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 164.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.47 -10.94 20.63 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 122.808 2.338 . . . . 0.0 113.461 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -27.42 68.88 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.668 1.122 . . . . 0.0 111.041 165.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.12 -0.74 66.82 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.61 -1.106 . . . . 0.0 112.954 -176.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.27 135.31 55.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.903 1.352 . . . . 0.0 107.58 166.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.2 t -81.01 94.36 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 N-CA-C 106.317 -1.735 . . . . 0.0 106.317 166.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -75.86 164.66 25.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.713 0.768 . . . . 0.0 109.092 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.49 -168.23 30.58 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.155 174.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -79.92 167.49 74.86 Favored 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 124.56 -1.017 . . . . 0.0 113.728 19.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.26 162.05 34.08 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.021 1.728 . . . . 0.0 109.784 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.32 144.87 32.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.195 0.998 . . . . 0.0 109.624 168.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.5 mt -63.6 -29.47 70.72 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 118.597 -0.716 . . . . 0.0 111.583 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.3 m -65.01 -36.72 85.3 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.632 1.106 . . . . 0.0 109.745 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.6 -48.84 68.26 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 118.4 0.545 . . . . 0.0 110.578 173.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.14 -37.74 86.3 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.732 -0.605 . . . . 0.0 111.343 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -62.06 -48.7 79.05 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.464 1.105 . . . . 0.0 110.049 170.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.05 78.67 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.245 0.93 . . . . 0.0 111.038 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 54.4 m0 -75.91 -28.76 58.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.742 1.217 . . . . 0.0 112.06 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 t -65.12 -30.72 71.68 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.813 165.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.17 -13.31 59.79 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.806 1.243 . . . . 0.0 112.597 178.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.8 -2.08 20.31 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.227 1.811 . . . . 0.0 111.695 178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 51.73 68.73 0.76 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 126.826 2.05 . . . . 0.0 112.056 -170.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -105.31 11.2 33.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.089 1.356 . . . . 0.0 111.038 162.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -143.07 155.43 44.61 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.478 1.511 . . . . 0.0 109.401 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -81.91 172.01 13.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.969 -163.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -17.68 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 170.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -142.19 48.6 1.57 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.501 1.046 . . . . 0.0 108.62 -172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -83.05 146.16 28.88 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.202 -0.936 . . . . 0.0 111.246 -168.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -127.18 158.77 36.2 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.695 0.798 . . . . 0.0 112.056 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.32 158.65 28.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 126.271 1.828 . . . . 0.0 108.266 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -137.46 160.23 39.7 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.317 0.647 . . . . 0.0 109.607 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.44 158.74 35.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.708 0.766 . . . . 0.0 110.943 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 p -49.45 121.48 5.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.196 0.999 . . . . 0.0 109.434 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.66 -23.87 28.61 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 125.05 1.309 . . . . 0.0 113.127 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.33 166.49 21.27 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 118.768 1.284 . . . . 0.0 112.721 -164.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.51 145.86 50.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 165.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.6 ttm -57.9 -29.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 122.813 1.292 . . . . 0.0 110.848 170.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 126.302 1.841 . . . . 0.0 110.499 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.7 m -72.54 -3.44 24.56 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.005 0.922 . . . . 0.0 113.305 173.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.32 140.89 56.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.349 0.977 . . . . 0.0 110.962 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 m -110.69 163.02 7.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 126.556 1.942 . . . . 0.0 108.757 -177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.83 126.68 30.19 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.1 tp -49.48 -37.36 25.93 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.688 170.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.6 -26.53 66.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 123.4 0.68 . . . . 0.0 112.523 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.26 -39.05 23.53 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.699 0.8 . . . . 0.0 109.637 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.69 -35.45 74.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 121.087 -1.008 . . . . 0.0 109.793 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -27.25 67.64 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.133 1.373 . . . . 0.0 112.294 169.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.76 -61.48 1.96 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.238 0.926 . . . . 0.0 108.64 168.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.2 mt -61.3 -27.58 68.58 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 124.944 1.297 . . . . 0.0 112.611 -164.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 t -110.72 62.98 0.61 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.04 1.336 . . . . 0.0 108.501 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -78.95 167.62 52.83 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.885 1.231 . . . . 0.0 110.938 175.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.61 95.06 1.04 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.368 2.045 . . . . 0.0 111.225 -173.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 t -153.65 146.32 24.23 Favored 'General case' 0 C--O 1.236 0.377 0 O-C-N 121.514 -0.741 . . . . 0.0 109.493 168.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -66.7 172.71 4.0 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 156.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 N-CA-C 107.558 -2.217 . . . . 0.0 107.558 161.063 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.79 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t 60.57 -89.25 0.03 OUTLIER 'General case' 0 C--O 1.233 0.189 0 C-N-CA 125.492 1.517 . . . . 0.0 110.537 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 m -141.78 117.72 10.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 167.64 12.51 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.439 1.019 . . . . 0.0 111.195 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -77.0 80.63 3.53 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.8 m -146.33 152.4 39.07 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.071 1.348 . . . . 0.0 107.887 171.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.03 -131.94 11.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 107.947 -2.061 . . . . 0.0 107.947 -165.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.88 -144.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 121.474 -1.015 . . . . 0.0 109.911 -160.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -51.8 154.87 1.89 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.953 0.901 . . . . 0.0 109.705 171.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.9 157.14 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 124.829 1.252 . . . . 0.0 108.32 -174.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.2 mt -120.63 87.4 2.74 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 167.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.7 t -136.39 113.34 10.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 171.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.7 102.41 4.61 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.46 99.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.889 -169.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -89.13 -21.59 23.28 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 117.855 -1.069 . . . . 0.0 111.932 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -95.74 -53.55 3.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 119.913 1.233 . . . . 0.0 109.268 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -78.31 159.92 28.15 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 118.697 0.68 . . . . 0.0 111.357 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.756 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -71.97 109.24 5.67 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 171.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -143.06 6.75 1.57 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -128.11 120.66 27.83 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.179 0.991 . . . . 0.0 108.989 -174.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 mt -90.57 162.99 14.75 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 126.837 2.055 . . . . 0.0 108.854 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -148.37 162.85 38.72 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.749 -0.595 . . . . 0.0 110.004 165.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 5.0 ttmt -102.44 134.25 46.06 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.613 1.165 . . . . 0.0 108.082 169.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.37 174.25 4.59 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.012 0.925 . . . . 0.0 110.587 -176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -77.09 -7.22 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.903 2.402 . . . . 0.0 112.574 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.41 -13.5 46.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.437 1.495 . . . . 0.0 110.255 167.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.94 9.85 67.4 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 128.764 3.078 . . . . 0.0 113.381 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -74.22 137.8 43.29 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.6 t -71.93 145.12 12.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 160.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -129.98 159.8 35.59 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.019 1.328 . . . . 0.0 108.309 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.68 -158.79 20.32 Favored Glycine 0 CA--C 1.527 0.824 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.707 167.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -74.7 170.0 72.73 Favored 'Cis proline' 0 N--CA 1.456 -0.701 0 CA-C-O 122.712 1.047 . . . . 0.0 113.319 9.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.09 165.29 25.4 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.586 1.954 . . . . 0.0 107.967 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -97.29 154.97 17.08 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.957 0.903 . . . . 0.0 110.865 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.12 -25.22 66.88 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 118.956 -0.545 . . . . 0.0 112.36 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -66.91 -51.27 57.34 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -56.54 -48.65 76.83 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 123.621 0.769 . . . . 0.0 110.753 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.48 -40.93 96.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.303 -0.855 . . . . 0.0 111.456 -176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -60.0 -49.48 77.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 119.525 1.057 . . . . 0.0 109.729 174.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.52 78.38 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 123.686 0.616 . . . . 0.0 110.603 -176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -70.78 -31.64 68.49 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -62.72 -38.65 91.32 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.226 0.921 . . . . 0.0 109.269 171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -79.25 -46.28 18.13 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 124.608 1.163 . . . . 0.0 110.475 -174.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.21 7.26 2.27 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.027 1.731 . . . . 0.0 113.18 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 55.18 44.23 28.08 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.879 2.072 . . . . 0.0 114.343 171.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -78.67 -13.34 59.87 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.304 -0.872 . . . . 0.0 112.144 164.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -116.87 -158.79 0.71 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.293 1.837 . . . . 0.0 108.543 -167.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.4 p -125.06 160.3 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.872 0.869 . . . . 0.0 109.447 -171.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -68.62 2.32 2.54 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -136.07 31.21 2.98 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.332 1.853 . . . . 0.0 108.386 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -79.08 102.77 8.59 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.237 -0.914 . . . . 0.0 108.68 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.57 165.94 15.81 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.232 -0.917 . . . . 0.0 109.695 168.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.6 m -143.01 154.83 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 127.116 2.166 . . . . 0.0 107.68 175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 22.5 p90 -134.37 155.84 49.55 Favored 'General case' 0 CA--C 1.519 -0.217 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 172.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 36.4 mtt -73.18 158.97 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 122.609 1.195 . . . . 0.0 111.215 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 p -63.21 101.26 0.28 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.858 1.663 . . . . 0.0 110.757 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.77 13.92 51.61 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.655 -1.081 . . . . 0.0 112.367 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.57 170.66 9.31 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 119.366 1.583 . . . . 0.0 109.698 163.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.6 t -75.18 144.17 42.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.523 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 55.8 ttm -62.51 -32.7 73.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.444 0.64 . . . . 0.0 110.708 169.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.01 -29.48 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.785 -1.197 . . . . 0.0 110.705 174.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -81.17 10.25 5.65 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.098 0.863 . . . . 0.0 112.372 173.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 123.4 18.14 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 119.221 0.918 . . . . 0.0 110.366 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -96.05 164.3 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 124.88 1.272 . . . . 0.0 107.591 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.4 mt -65.73 132.8 49.64 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 tp -55.3 -38.91 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 164.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.276 2.1 t -69.1 -23.34 64.0 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.683 0.674 . . . . 0.0 111.422 -178.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -73.93 -54.31 8.21 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.211 0.914 . . . . 0.0 108.826 172.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.04 -34.0 43.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.442 1.097 . . . . 0.0 111.193 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -27.24 63.2 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 126.032 1.733 . . . . 0.0 113.042 173.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -93.76 -39.11 10.93 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.636 1.574 . . . . 0.0 110.818 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.99 -52.3 65.6 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 119.235 0.925 . . . . 0.0 109.84 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -68.15 150.85 47.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.05 0.94 . . . . 0.0 108.778 170.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.56 179.79 38.16 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -76.32 65.6 7.18 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.416 3.41 . . . . 0.0 111.846 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.1 p -148.66 171.45 16.17 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.083 1.353 . . . . 0.0 108.721 171.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -22.86 23.85 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.69 -0.631 . . . . 0.0 110.847 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 N-CA-C 105.706 -2.958 . . . . 0.0 105.706 -153.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.978 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -99.93 163.35 12.48 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 118.662 1.231 . . . . 0.0 111.231 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 m 57.57 -169.98 0.11 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.93 1.692 . . . . 0.0 113.023 -174.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.17 -177.57 21.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.302 1.906 . . . . 0.0 109.226 -163.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 p -126.74 125.57 42.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 123.962 0.905 . . . . 0.0 108.702 177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -155.68 -176.62 6.05 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.581 -0.7 . . . . 0.0 110.48 -174.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.24 -161.84 8.95 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 106.471 -2.652 . . . . 0.0 106.471 173.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.59 106.43 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 162.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? -66.22 174.56 2.55 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.372 1.069 . . . . 0.0 108.479 170.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.0 m -64.63 154.63 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 157.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.13 132.22 43.03 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 170.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -135.66 108.55 7.59 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 126.7 2.0 . . . . 0.0 106.625 -171.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -64.87 101.64 0.51 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -82.83 124.93 30.77 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 168.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -92.55 -4.71 53.06 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.278 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -114.52 -48.55 2.86 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.421 1.488 . . . . 0.0 108.596 -171.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.36 143.09 57.37 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.283 1.401 . . . . 0.0 110.4 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.67 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -77.92 93.74 4.46 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 124.714 1.206 . . . . 0.0 108.072 -178.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -131.5 0.27 4.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -168.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -125.83 130.84 52.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.754 0.822 . . . . 0.0 109.31 -169.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 mt -108.22 157.91 17.92 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 126.004 1.722 . . . . 0.0 108.624 -177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -140.52 154.64 46.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 163.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.551 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -93.25 128.29 39.18 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 166.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -82.4 167.95 26.77 Favored Pre-proline 0 C--N 1.322 -0.595 0 O-C-N 123.103 0.252 . . . . 0.0 110.497 173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.16 -16.09 43.88 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.131 2.554 . . . . 0.0 114.865 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -70.53 -19.33 62.91 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 119.876 1.216 . . . . 0.0 110.065 172.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.05 33.12 5.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 125.249 1.404 . . . . 0.0 111.068 177.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -122.01 137.94 54.62 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 125.711 1.605 . . . . 0.0 108.362 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.07 116.17 23.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 169.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -95.48 161.16 14.18 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.759 0.823 . . . . 0.0 109.136 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 100.02 -153.41 19.45 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.422 -0.655 . . . . 0.0 112.341 169.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -74.71 166.98 81.57 Favored 'Cis proline' 0 N--CA 1.457 -0.62 0 CA-C-N 118.645 1.222 . . . . 0.0 111.796 4.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 165.15 25.99 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 126.542 1.937 . . . . 0.0 109.085 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.1 p -80.69 161.4 24.63 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 173.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.18 -22.08 62.99 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.93 -1.106 . . . . 0.0 110.823 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -72.17 -39.71 68.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.967 0.803 . . . . 0.0 109.513 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -62.1 -52.27 64.58 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 mt -60.19 -45.08 94.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 112.222 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.65 91.49 Favored 'General case' 0 C--O 1.225 -0.187 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.03 178.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.21 -41.02 83.13 Favored 'General case' 0 CA--C 1.526 0.058 0 CA-C-N 119.301 0.955 . . . . 0.0 111.506 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -67.7 -36.62 80.98 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.208 0.603 . . . . 0.0 112.218 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -69.83 -39.11 76.65 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.118 0.872 . . . . 0.0 109.999 175.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -57.97 -46.63 84.85 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.563 1.145 . . . . 0.0 107.917 173.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.18 -3.21 12.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.096 1.759 . . . . 0.0 113.868 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 63.22 26.92 15.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.693 1.997 . . . . 0.0 113.488 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -58.35 -49.15 78.24 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 122.092 0.948 . . . . 0.0 108.918 166.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -92.59 172.19 8.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.029 1.332 . . . . 0.0 110.678 -169.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.436 ' H ' ' HB2' ' A' ' 51' ' ' PHE . 73.0 p -112.45 167.11 10.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.609 0.719 . . . . 0.0 111.339 -157.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -65.72 -1.5 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.49 1.516 . . . . 0.0 113.383 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -143.52 40.1 1.43 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 120.161 1.346 . . . . 0.0 109.764 172.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.436 ' HB2' ' H ' ' A' ' 48' ' ' THR . 12.9 t80 -77.67 150.49 34.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.902 -1.124 . . . . 0.0 110.71 -178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -133.44 160.35 37.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 124.432 1.093 . . . . 0.0 112.434 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 m -141.69 157.88 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.724 1.61 . . . . 0.0 108.969 173.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.422 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 13.1 p90 -135.22 159.89 40.12 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.277 1.031 . . . . 0.0 108.716 173.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.0 mtt -75.06 156.55 36.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.435 0.636 . . . . 0.0 110.679 176.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.9 p -60.78 143.53 54.37 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.973 -0.455 . . . . 0.0 110.101 173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.49 6.33 86.56 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.614 -1.103 . . . . 0.0 113.567 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -115.76 167.05 11.27 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 118.951 1.376 . . . . 0.0 109.004 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 148.82 33.72 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.299 1.439 . . . . 0.0 110.182 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.551 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 31.9 ttm -63.36 -32.2 73.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.894 177.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -68.28 -25.95 65.41 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.642 -0.662 . . . . 0.0 111.513 -177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.6 m -80.61 8.52 7.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.168 0.987 . . . . 0.0 112.507 171.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.59 136.88 58.18 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 119.934 1.243 . . . . 0.0 110.518 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -96.98 164.07 2.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.022 1.729 . . . . 0.0 108.956 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.6 mt -68.79 122.74 19.21 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.89 -33.55 62.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.06 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.2 p -66.55 -24.88 66.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.313 0.645 . . . . 0.0 112.332 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -73.3 -55.5 6.33 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.68 -39.22 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.537 1.535 . . . . 0.0 111.48 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.44 -49.9 73.22 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.695 0.798 . . . . 0.0 111.269 174.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -64.31 -41.34 96.88 Favored 'General case' 0 CA--C 1.52 -0.204 0 C-N-CA 123.136 0.574 . . . . 0.0 110.96 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.89 -37.74 83.23 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.814 0.734 . . . . 0.0 109.172 178.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -85.39 26.06 0.95 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.563 1.545 . . . . 0.0 112.199 171.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -115.38 159.96 13.51 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.004 1.288 . . . . 0.0 110.302 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -69.72 160.83 48.23 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.843 2.362 . . . . 0.0 110.262 169.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.9 74.19 6.65 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 124.07 0.948 . . . . 0.0 110.061 -177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -153.97 92.07 1.51 Allowed 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.419 1.488 . . . . 0.0 107.551 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 116.988 -2.007 . . . . 0.0 112.678 -172.802 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.864 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -161.38 163.7 30.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.837 2.055 . . . . 0.0 107.136 170.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -157.81 168.79 26.2 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.905 0.775 . . . . 0.0 109.417 158.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -171.35 38.34 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 123.69 0.662 . . . . 0.0 111.632 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 m 60.03 78.62 0.27 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 128.397 2.679 . . . . 0.0 114.265 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -138.08 -3.7 1.77 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.031 1.332 . . . . 0.0 113.563 168.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.0 -178.2 21.43 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 120.11 1.323 . . . . 0.0 111.346 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 m -84.72 75.87 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 122.971 1.367 . . . . 0.0 110.227 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -68.08 156.49 37.3 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 120.487 -1.383 . . . . 0.0 110.681 167.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -48.45 130.64 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 O-C-N 124.991 1.432 . . . . 0.0 107.699 167.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 pp -145.55 132.03 19.75 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.5 m -136.16 147.05 47.52 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 125.926 1.69 . . . . 0.0 108.071 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -62.79 134.88 56.93 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 123.968 0.907 . . . . 0.0 109.26 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.37 98.13 8.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -165.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -115.42 -34.41 4.94 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 117.611 -1.185 . . . . 0.0 113.354 -167.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.28 -11.27 22.78 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.992 0.808 . . . . 0.0 110.478 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -109.35 143.0 39.47 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.501 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -70.95 117.19 12.14 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 119.55 1.068 . . . . 0.0 108.483 174.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -150.56 10.55 0.65 Allowed 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -126.3 133.83 51.3 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.352 1.061 . . . . 0.0 109.658 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 mt -108.64 147.29 32.1 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 126.242 1.817 . . . . 0.0 108.441 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -138.54 141.92 39.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.418 1.087 . . . . 0.0 108.959 170.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.16 122.43 31.72 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -65.13 166.16 14.03 Favored Pre-proline 0 CA--C 1.543 0.682 0 O-C-N 121.616 -0.677 . . . . 0.0 109.204 172.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -76.13 -13.09 19.24 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 120.865 1.043 . . . . 0.0 111.954 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.0 -20.93 62.35 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.151 1.38 . . . . 0.0 111.129 173.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 120.37 -1.02 12.77 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.367 1.46 . . . . 0.0 113.08 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -99.99 136.99 39.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 125.534 1.534 . . . . 0.0 110.099 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.88 96.91 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -84.14 172.11 12.23 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.466 0.706 . . . . 0.0 110.737 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.91 -157.03 25.89 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.71 170.66 68.0 Favored 'Cis proline' 0 N--CA 1.458 -0.593 0 CA-C-N 118.178 0.989 . . . . 0.0 113.042 6.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -133.96 160.89 36.34 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 125.944 1.697 . . . . 0.0 110.139 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.45 147.11 28.03 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.962 1.705 . . . . 0.0 108.389 175.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.68 -34.06 73.78 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 121.728 -0.608 . . . . 0.0 111.347 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -66.14 -37.62 86.13 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.496 0.589 . . . . 0.0 110.614 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.15 -47.89 66.83 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 118.483 0.583 . . . . 0.0 109.471 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.35 -42.62 91.97 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.542 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -57.22 -59.74 4.65 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.219 169.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.48 -35.26 67.75 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.073 0.852 . . . . 0.0 111.716 -170.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -71.27 -44.13 65.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.097 0.959 . . . . 0.0 111.289 175.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -45.28 74.07 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.193 0.906 . . . . 0.0 110.672 170.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.41 -2.02 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 129.375 3.07 . . . . 0.0 112.811 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.53 8.49 13.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.222 1.809 . . . . 0.0 112.079 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 57.95 38.78 26.95 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.762 2.025 . . . . 0.0 113.223 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -73.91 -29.14 61.89 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 120.058 -1.651 . . . . 0.0 110.94 164.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -127.58 166.81 17.33 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 124.886 1.275 . . . . 0.0 110.561 -165.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.4 p -102.46 166.8 10.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 125.134 1.373 . . . . 0.0 110.515 -172.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -79.88 -11.75 59.79 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 120.663 -1.273 . . . . 0.0 113.958 -175.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -99.41 25.18 7.22 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 120.5 1.5 . . . . 0.0 111.018 167.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -71.96 100.41 2.45 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 119.463 -2.023 . . . . 0.0 109.482 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.72 158.47 20.76 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 120.648 -1.282 . . . . 0.0 110.627 167.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 m -142.46 164.26 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.92 1.688 . . . . 0.0 109.032 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.6 p90 -133.57 162.27 32.35 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 174.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.0 mtt -73.1 155.1 40.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.706 . . . . 0.0 111.556 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 p -61.96 135.63 57.63 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 122.05 -0.406 . . . . 0.0 110.135 172.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.32 -8.09 34.57 Favored Glycine 0 CA--C 1.528 0.895 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.313 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.22 170.88 10.22 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 119.695 1.748 . . . . 0.0 110.834 171.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 t -74.98 144.67 43.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 123.911 0.884 . . . . 0.0 109.51 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.5 ttm -62.77 -36.11 82.01 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 167.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -64.66 -14.92 60.28 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.43 175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -101.66 26.01 7.86 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.92 1.288 . . . . 0.0 110.773 173.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 169.77 1.44 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.69 1.233 . . . . 0.0 112.195 170.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.53 164.59 28.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 C-N-CA 127.709 2.404 . . . . 0.0 107.031 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -75.64 133.26 40.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.024 -1.048 . . . . 0.0 108.625 172.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.0 tp -53.63 -33.81 56.39 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.372 0.669 . . . . 0.0 110.507 169.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.8 p -71.99 -29.0 63.78 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.377 -0.827 . . . . 0.0 112.512 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.78 -53.02 53.51 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 171.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.8 t -62.82 -34.31 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 123.18 0.592 . . . . 0.0 111.482 -176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 mp -66.63 -38.83 87.72 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 121.112 -0.992 . . . . 0.0 112.19 172.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -63.89 -33.49 75.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.117 0.871 . . . . 0.0 109.865 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.8 mt -77.72 -54.23 6.61 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.46 1.027 . . . . 0.0 111.119 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.55 44.8 1.06 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.94 -1.1 . . . . 0.0 112.566 -160.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.45 169.82 49.77 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 123.723 0.678 . . . . 0.0 113.782 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -73.32 -167.56 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 125.253 3.969 . . . . 0.0 110.467 162.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 p -76.08 103.25 6.04 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 121.806 -0.559 . . . . 0.0 109.549 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.9 m 70.43 158.11 0.18 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 127.478 2.311 . . . . 0.0 114.899 174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.436 0 N-CA-C 108.169 -1.972 . . . . 0.0 108.169 -178.41 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.082 0 CA-C-O 119.59 -0.561 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -136.93 166.09 24.47 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 126.162 1.785 . . . . 0.0 108.607 168.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.47 163.03 13.22 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.638 0.775 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 173.06 34.5 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 126.577 2.036 . . . . 0.0 108.101 -178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -79.49 61.69 3.59 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.337 1.068 . . . . 0.0 111.695 -176.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -76.61 106.22 8.13 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 169.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.26 174.27 53.53 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.7 m -124.88 -170.64 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 125.788 1.635 . . . . 0.0 107.973 -178.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 50.03 52.62 14.33 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.234 1.414 . . . . 0.0 110.163 -168.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.75 153.64 38.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 127.67 2.388 . . . . 0.0 106.695 175.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.69 148.57 32.15 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 126.962 2.105 . . . . 0.0 106.158 162.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -136.29 160.13 39.64 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 128.476 2.71 . . . . 0.0 107.048 162.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -101.58 100.84 11.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -80.14 127.47 32.36 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -174.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -97.0 -15.55 21.02 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.188 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -108.64 -34.73 6.63 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.556 1.071 . . . . 0.0 111.358 -170.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -78.5 148.07 33.62 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 121.12 -0.987 . . . . 0.0 108.472 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -75.03 98.89 3.73 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -178.627 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.99 1.52 2.27 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -169.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -125.39 118.47 25.95 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.923 0.889 . . . . 0.0 108.783 -173.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 57.8 mt -95.59 162.98 13.4 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.99 2.116 . . . . 0.0 108.612 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 54' ' ' TRP . 19.3 p90 -152.58 170.1 21.04 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.085 0.954 . . . . 0.0 109.39 170.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -109.18 125.29 52.05 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 109.23 168.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.35 176.72 3.53 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 124.604 1.162 . . . . 0.0 109.284 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -66.68 -18.11 53.22 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.873 1.715 . . . . 0.0 111.736 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.26 -17.61 63.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.293 175.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 19.21 68.22 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-N 119.041 0.837 . . . . 0.0 112.404 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.79 151.57 25.53 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.55 158.93 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 161.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -140.76 165.11 28.4 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 171.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.75 -145.24 16.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 165.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -67.19 170.77 44.81 Favored 'Cis proline' 0 N--CA 1.456 -0.734 0 CA-C-N 118.381 1.09 . . . . 0.0 110.94 -3.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -131.4 163.22 28.38 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 125.692 1.597 . . . . 0.0 109.148 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.3 153.89 35.53 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.686 0.794 . . . . 0.0 109.463 169.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.84 -36.49 81.34 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.796 -0.621 . . . . 0.0 110.268 170.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -55.5 -52.01 65.07 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.6 0.636 . . . . 0.0 110.046 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -61.96 -51.03 69.75 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.323 0.649 . . . . 0.0 110.758 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.29 -40.58 86.59 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.757 -0.59 . . . . 0.0 111.552 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -61.3 -49.38 77.24 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.162 0.585 . . . . 0.0 109.535 174.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.19 -28.9 69.71 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.301 0.376 . . . . 0.0 111.419 -174.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.8 m0 -78.35 -34.8 48.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.508 1.123 . . . . 0.0 112.15 173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.0 t -60.13 -35.87 76.23 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.272 0.942 . . . . 0.0 109.708 168.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -45.35 93.91 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.119 1.768 . . . . 0.0 109.558 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.21 10.42 3.64 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.719 . . . . 0.0 113.633 173.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 63.39 12.67 6.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.764 2.026 . . . . 0.0 114.576 174.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -66.05 9.09 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.014 2.125 . . . . 0.0 114.616 -175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -142.79 169.79 16.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.529 1.932 . . . . 0.0 108.821 -169.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -89.93 150.78 22.02 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.776 0.831 . . . . 0.0 109.443 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -8.31 37.06 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 120.912 -1.117 . . . . 0.0 113.59 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.78 86.57 2.55 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 155.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -95.24 131.12 41.65 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -108.24 156.58 19.2 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 119.139 0.881 . . . . 0.0 111.21 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.1 m -140.38 157.52 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 125.496 1.518 . . . . 0.0 108.444 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.437 ' CZ3' ' HA ' ' A' ' 22' ' ' TYR . 38.2 p90 -139.14 154.75 48.15 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 173.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 26.2 mtm -77.4 158.4 30.08 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.709 0.766 . . . . 0.0 111.361 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.0 p -64.98 105.76 1.1 Allowed 'General case' 0 C--O 1.238 0.479 0 C-N-CA 124.638 1.175 . . . . 0.0 110.934 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.7 -14.48 14.68 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.765 1.65 . . . . 0.0 111.328 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.46 173.44 7.91 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 119.311 1.556 . . . . 0.0 110.294 173.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.72 160.27 15.43 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 165.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.423 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 36.1 ttm -67.35 -32.93 74.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.663 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -63.28 -27.52 69.39 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 119.008 -0.52 . . . . 0.0 112.062 174.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -73.97 3.03 7.39 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.84 0.745 . . . . 0.0 112.23 173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.74 150.1 42.13 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 119.887 1.221 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.3 m -124.57 157.34 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 125.792 1.637 . . . . 0.0 107.932 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.5 127.04 29.56 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.2 tp -53.65 -30.16 41.74 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 122.602 0.361 . . . . 0.0 111.032 171.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.38 -31.7 72.64 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.054 -1.029 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.45 -50.99 56.76 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.8 -37.34 76.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.133 1.373 . . . . 0.0 110.13 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -51.62 -53.04 42.77 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 125.346 1.458 . . . . 0.0 111.365 172.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -62.7 -47.08 85.18 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.794 0.438 . . . . 0.0 110.217 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.98 -32.28 73.58 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.472 0.578 . . . . 0.0 112.366 -176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.5 t -87.31 4.08 44.26 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.302 1.441 . . . . 0.0 112.114 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -114.14 157.59 14.87 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 173.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -66.04 167.6 17.6 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.558 2.172 . . . . 0.0 110.2 167.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 p -54.18 135.65 43.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.68 87.74 3.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 174.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.76 0 N-CA-C 106.172 -2.771 . . . . 0.0 106.172 -157.144 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.523 0 N-CA-C 106.998 -2.441 . . . . 0.0 106.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -154.61 163.7 39.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.422 1.111 . . . . 0.0 108.653 162.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 p -143.76 159.87 41.73 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.535 1.934 . . . . 0.0 106.54 171.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.12 76.29 0.22 Allowed Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 106.388 -2.685 . . . . 0.0 106.388 173.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.24 129.02 11.59 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.505 2.322 . . . . 0.0 105.117 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -70.46 145.61 50.86 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.49 72.65 0.79 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 124.053 0.835 . . . . 0.0 112.036 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 m -70.39 63.03 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 C-N-CA 124.604 1.162 . . . . 0.0 110.534 169.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 56.48 172.02 0.03 OUTLIER 'General case' 0 C--O 1.236 0.374 0 C-N-CA 128.338 2.655 . . . . 0.0 112.071 -160.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 p -62.68 151.86 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.1 70.17 1.47 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -74.56 134.95 42.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 -169.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -71.0 101.94 2.31 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.63 159.36 28.1 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.63 1.172 . . . . 0.0 109.758 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -24.2 10.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 -171.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -128.87 -24.36 2.96 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -158.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 157.51 22.44 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -83.12 102.88 12.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.58 -4.77 2.91 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -121.66 117.7 27.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.506 1.122 . . . . 0.0 109.226 -170.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.9 mt -92.3 154.39 18.63 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 126.456 1.902 . . . . 0.0 109.727 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -139.16 153.41 47.94 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 165.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HE3' ' SD ' ' A' ' 60' ' ' MET . 0.1 OUTLIER -90.12 113.32 25.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 171.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -67.16 163.2 47.68 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 118.174 0.443 . . . . 0.0 109.872 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.31 -4.86 16.08 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.568 1.512 . . . . 0.0 112.337 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.51 -19.75 52.29 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 120.027 1.285 . . . . 0.0 110.871 169.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 114.94 4.42 21.06 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.893 1.711 . . . . 0.0 113.163 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.07 133.5 48.07 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 119.014 1.407 . . . . 0.0 108.991 -166.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.5 t -77.2 93.0 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -83.2 160.26 21.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 122.042 0.925 . . . . 0.0 110.883 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.97 -155.85 20.04 Favored Glycine 0 N--CA 1.438 -1.224 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.762 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.3 169.49 72.89 Favored 'Cis proline' 0 N--CA 1.453 -0.907 0 C-N-CA 124.63 -0.987 . . . . 0.0 111.95 11.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -131.02 163.41 27.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 127.411 2.284 . . . . 0.0 106.756 175.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.8 p -85.92 164.16 17.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.004 0.431 . . . . 0.0 111.157 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.22 -31.0 72.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 123.331 0.653 . . . . 0.0 110.977 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.2 m -73.36 -39.31 65.26 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.387 0.994 . . . . 0.0 109.772 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.27 -49.86 74.0 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.487 0.585 . . . . 0.0 110.006 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -67.21 -44.33 79.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.302 1.041 . . . . 0.0 111.13 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -58.39 -45.11 88.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.572 -1.204 . . . . 0.0 110.579 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.48 75.64 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 119.377 0.99 . . . . 0.0 111.622 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -71.74 -42.48 67.2 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.52 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 t -59.32 -45.56 90.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.659 0.784 . . . . 0.0 110.282 175.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -53.66 -56.31 18.43 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 126.738 2.015 . . . . 0.0 108.759 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.76 11.07 1.84 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.019 2.528 . . . . 0.0 114.622 176.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 51.54 36.17 16.36 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.895 1.678 . . . . 0.0 114.681 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -67.93 -12.79 61.4 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.493 -1.379 . . . . 0.0 113.226 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -115.53 -148.09 0.42 Allowed 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.068 1.347 . . . . 0.0 108.953 -169.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.9 p -127.3 159.89 33.0 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.458 1.103 . . . . 0.0 108.494 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.93 -53.16 60.63 Favored 'General case' 0 C--N 1.334 -0.103 0 O-C-N 121.461 -0.774 . . . . 0.0 109.186 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.15 35.47 0.32 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.647 1.179 . . . . 0.0 113.466 -172.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -92.57 146.8 23.39 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.212 1.805 . . . . 0.0 110.738 -170.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.41 162.89 28.12 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.131 0.972 . . . . 0.0 112.962 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.5 m -144.16 154.54 15.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 126.106 1.762 . . . . 0.0 109.664 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.462 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 10.5 p90 -146.53 158.93 43.98 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 124.266 1.026 . . . . 0.0 110.45 172.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 mtt -73.54 159.88 32.51 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.374 0.607 . . . . 0.0 111.843 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 35.1 p -60.08 154.0 20.37 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.86 -36.2 1.24 Allowed Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.869 1.7 . . . . 0.0 113.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.38 170.59 11.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.533 1.167 . . . . 0.0 112.749 -174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 t -71.87 145.86 48.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.464 ' SD ' ' HE3' ' A' ' 23' ' ' LYS . 24.9 ttm -60.78 -39.0 87.18 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.224 171.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -68.15 -24.2 64.96 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.82 -0.55 . . . . 0.0 112.17 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.2 m -73.87 4.73 4.87 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.37 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.48 161.26 6.0 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 119.721 1.146 . . . . 0.0 111.678 173.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.59 169.73 20.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.608 1.563 . . . . 0.0 108.339 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.5 mt -67.82 129.12 38.95 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.8 tp -54.35 -32.33 56.55 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.864 -0.523 . . . . 0.0 111.321 174.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 39.3 p -65.04 -32.58 74.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.436 0.694 . . . . 0.0 111.194 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -51.01 42.24 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 175.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.4 -41.53 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.694 0.798 . . . . 0.0 111.052 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.96 -47.54 71.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.746 0.818 . . . . 0.0 113.002 173.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -71.36 -35.67 71.22 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.24 1.016 . . . . 0.0 111.84 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.18 -36.08 76.97 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 123.383 0.673 . . . . 0.0 110.469 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.3 p -70.25 165.89 21.25 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 123.373 0.669 . . . . 0.0 110.289 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 179.94 173.05 44.59 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 121.549 -0.719 . . . . 0.0 112.438 170.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -70.88 151.15 62.43 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.599 2.866 . . . . 0.0 109.866 175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 m -68.68 125.6 27.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.883 -0.511 . . . . 0.0 109.761 -173.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 t -156.35 140.76 16.72 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 170.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.793 0 CA-C-O 116.965 -2.019 . . . . 0.0 110.541 -167.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.343 0 N-CA-C 110.483 -1.047 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 65.36 44.12 3.27 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.076 0.951 . . . . 0.0 109.288 -161.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -139.31 173.45 11.53 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.401 1.88 . . . . 0.0 108.41 -167.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.4 -103.31 2.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 -176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m 39.26 -95.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.796 2.039 . . . . 0.0 111.917 -166.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -146.79 172.01 14.3 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 119.753 1.161 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.92 87.91 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 106.627 -2.589 . . . . 0.0 106.627 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.251 9.6 p -73.92 87.49 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 122.328 1.061 . . . . 0.0 109.435 -171.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 44.73 8.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 130.664 3.586 . . . . 0.0 116.207 -153.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 t -70.18 123.21 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 172.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.1 mt -138.69 87.87 2.25 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.688 1.195 . . . . 0.0 108.485 172.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.0 t -75.39 160.45 30.26 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.303 -0.873 . . . . 0.0 110.026 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.29 102.1 12.44 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.852 1.261 . . . . 0.0 108.976 -170.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -74.52 108.45 7.3 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.939 1.296 . . . . 0.0 108.23 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -80.46 -21.9 41.61 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -103.6 -5.78 22.32 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.626 1.171 . . . . 0.0 110.855 -163.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -111.09 149.94 30.1 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.578 0.751 . . . . 0.0 110.106 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.627 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -80.41 91.88 5.76 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 -178.155 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.39 3.73 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.817 1.247 . . . . 0.0 112.063 -168.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -121.3 145.49 47.82 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.0 mt -117.35 153.2 33.41 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 126.517 1.927 . . . . 0.0 106.539 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -134.76 154.5 51.56 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 125.05 1.34 . . . . 0.0 109.26 163.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -91.48 126.57 36.61 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 161.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -74.43 -179.04 0.89 Allowed Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 123.613 0.765 . . . . 0.0 109.299 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -78.06 -24.94 7.8 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 121.653 1.569 . . . . 0.0 111.718 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.99 -23.51 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.851 1.66 . . . . 0.0 110.517 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.97 5.37 47.3 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.79 1.662 . . . . 0.0 111.796 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -81.31 132.26 35.33 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 118.689 1.245 . . . . 0.0 107.995 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.6 t -73.31 112.88 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 158.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -80.95 -158.95 0.22 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.564 0.745 . . . . 0.0 109.14 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.05 -169.45 50.05 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 120.469 -1.395 . . . . 0.0 115.067 146.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.61 175.53 47.35 Favored 'Cis proline' 0 CA--C 1.539 0.731 0 CA-C-N 117.924 0.862 . . . . 0.0 113.891 7.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -140.47 165.46 27.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 126.899 2.08 . . . . 0.0 110.816 -178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.31 152.85 20.3 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.778 175.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.43 -45.0 62.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.042 1.337 . . . . 0.0 110.429 173.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.4 m -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.269 0.628 . . . . 0.0 110.995 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -67.81 -44.7 76.68 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.141 0.428 . . . . 0.0 110.444 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.8 -42.42 97.56 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.368 178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -59.79 -51.21 70.7 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.294 170.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 119.434 1.016 . . . . 0.0 110.616 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -68.63 -42.65 77.73 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.029 0.931 . . . . 0.0 112.424 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -41.59 97.85 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.375 0.989 . . . . 0.0 110.258 176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.4 -26.76 68.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.389 1.876 . . . . 0.0 111.994 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.15 20.13 14.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.531 1.532 . . . . 0.0 111.394 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 54.13 23.56 4.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.695 2.398 . . . . 0.0 115.017 170.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -65.33 -5.28 6.94 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.167 -0.958 . . . . 0.0 113.179 174.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -131.74 168.15 18.27 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.561 1.544 . . . . 0.0 109.07 -170.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.8 p -96.22 173.62 7.3 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.413 1.085 . . . . 0.0 110.095 -170.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -84.52 7.8 18.71 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.304 1.042 . . . . 0.0 111.089 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -133.7 26.21 4.02 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.082 1.753 . . . . 0.0 109.066 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -86.23 137.53 32.55 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 125.115 1.366 . . . . 0.0 109.726 -173.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -126.84 164.43 21.4 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.64 153.03 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 126.09 1.756 . . . . 0.0 108.18 -178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 60' ' ' MET . 15.7 p90 -140.95 158.93 43.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 48.6 mtt -74.14 157.9 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.479 0.657 . . . . 0.0 109.887 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.9 p -57.34 130.15 44.98 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 122.913 0.485 . . . . 0.0 110.058 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.13 -2.91 59.68 Favored Glycine 0 CA--C 1.525 0.685 0 CA-C-O 117.936 -1.48 . . . . 0.0 114.296 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -80.22 167.58 20.14 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 118.954 1.377 . . . . 0.0 108.516 166.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.09 144.14 33.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 121.582 -0.699 . . . . 0.0 109.126 -177.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.414 ' HG3' ' CH2' ' A' ' 54' ' ' TRP . 41.8 ttm -59.35 -27.1 65.62 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 122.298 1.047 . . . . 0.0 111.927 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.251 20.7 mt-10 -79.87 -7.17 58.57 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.078 1.751 . . . . 0.0 111.985 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -88.37 -1.23 57.92 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.482 1.113 . . . . 0.0 112.603 161.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.53 123.77 20.56 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 120.507 1.503 . . . . 0.0 111.271 -169.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.79 166.69 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 126.216 1.806 . . . . 0.0 109.493 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.26 130.87 44.69 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.6 tp -53.34 -33.92 55.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.013 0.525 . . . . 0.0 112.367 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.5 p -61.73 -41.45 97.66 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 123.168 0.587 . . . . 0.0 110.382 -178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.63 -51.49 59.2 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 72' ' ' LEU . 86.8 t -61.18 -29.95 46.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 mp -50.01 -57.28 7.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.412 1.006 . . . . 0.0 110.198 165.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -63.42 -37.56 87.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . 6.9 mp -61.18 -19.6 61.77 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.138 -1.601 . . . . 0.0 113.141 169.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.9 -47.64 13.45 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 119.754 1.161 . . . . 0.0 111.187 172.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -149.03 160.71 28.5 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 119.669 1.122 . . . . 0.0 114.4 -168.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -78.36 79.44 3.3 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 124.453 3.435 . . . . 0.0 111.931 -169.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.0 105.33 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 126.479 1.912 . . . . 0.0 108.164 -168.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -50.16 145.29 6.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.151 0.98 . . . . 0.0 111.654 -173.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.219 0 N-CA-C 105.138 -3.185 . . . . 0.0 105.138 161.633 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.649 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 m 52.36 60.69 3.64 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.376 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -151.63 155.29 38.09 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.662 1.585 . . . . 0.0 107.001 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 86.99 0.96 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 126.638 2.066 . . . . 0.0 110.79 -170.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.69 176.42 8.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.162 0.985 . . . . 0.0 108.681 176.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -80.92 171.85 14.48 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.844 0.83 . . . . 0.0 110.338 170.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.13 172.57 19.13 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 126.115 1.817 . . . . 0.0 110.592 176.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -94.6 104.48 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.3 mtt85 33.48 46.94 0.13 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 128.444 2.698 . . . . 0.0 114.658 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.96 118.68 9.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -136.17 75.5 1.55 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.781 1.232 . . . . 0.0 108.352 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -91.32 152.32 20.51 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 156.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -82.0 102.53 11.03 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -73.75 133.86 43.37 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.65 -17.08 34.69 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -113.05 -24.7 9.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.521 0.601 . . . . 0.0 111.536 -150.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.77 150.41 21.62 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 124.43 1.092 . . . . 0.0 110.943 173.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.645 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -79.47 99.84 7.42 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 124.186 0.995 . . . . 0.0 109.449 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.1 6.64 2.62 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 -168.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -128.82 129.64 45.88 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.001 0.92 . . . . 0.0 109.345 -174.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.7 mt -110.42 156.81 20.3 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 127.352 2.261 . . . . 0.0 109.692 -173.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.62 150.53 33.42 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.622 0.369 . . . . 0.0 110.847 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -89.54 114.22 25.74 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.767 1.627 . . . . 0.0 107.823 169.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.13 164.66 40.14 Favored Pre-proline 0 C--N 1.322 -0.623 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 173.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.73 -23.2 56.76 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 124.731 3.621 . . . . 0.0 112.379 172.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -75.57 -7.72 54.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.72 0.808 . . . . 0.0 113.166 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.53 73.31 Favored Glycine 0 CA--C 1.528 0.845 0 O-C-N 120.984 -1.073 . . . . 0.0 113.357 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.67 127.07 29.73 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 125.069 1.348 . . . . 0.0 107.73 171.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.51 113.19 14.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 161.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -93.69 168.76 10.8 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.892 0.877 . . . . 0.0 109.407 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.44 -165.02 36.81 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.65 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -79.05 169.24 72.62 Favored 'Cis proline' 0 N--CA 1.455 -0.744 0 C-N-CA 124.921 -0.866 . . . . 0.0 112.966 20.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -133.54 162.23 32.46 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 124.954 1.301 . . . . 0.0 109.26 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.04 151.21 28.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.315 1.046 . . . . 0.0 108.939 174.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.99 -31.16 72.23 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.378 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 54.1 m -58.52 -45.66 88.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.022 0.828 . . . . 0.0 111.209 171.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -67.92 -42.24 81.35 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.654 0.661 . . . . 0.0 109.913 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.79 -43.34 89.04 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.255 0.622 . . . . 0.0 110.42 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -54.83 -53.52 54.27 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 118.616 0.644 . . . . 0.0 109.625 171.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.15 -28.25 68.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.322 -0.371 . . . . 0.0 111.791 -177.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.05 -30.33 26.16 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.271 0.941 . . . . 0.0 113.075 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.8 t -60.94 -47.71 85.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.351 0.978 . . . . 0.0 108.665 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -58.3 -40.32 81.68 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.568 1.947 . . . . 0.0 110.289 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.29 10.06 9.4 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.196 1.798 . . . . 0.0 114.2 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 59.46 24.4 13.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.003 2.121 . . . . 0.0 115.019 174.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -70.16 -0.53 7.99 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.335 -1.478 . . . . 0.0 113.419 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CE1' ' CZ ' ' A' ' 51' ' ' PHE . 19.9 m-85 -131.71 -178.44 4.87 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 125.05 1.34 . . . . 0.0 111.978 -164.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -121.24 164.2 17.34 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.674 1.59 . . . . 0.0 110.959 -167.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.83 -26.9 66.18 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.582 -0.698 . . . . 0.0 112.402 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -120.04 39.86 3.58 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.124 0.97 . . . . 0.0 109.681 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' CZ ' ' CE1' ' A' ' 47' ' ' PHE . 23.2 t80 -75.98 107.53 8.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -95.76 167.34 11.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 120.851 -1.156 . . . . 0.0 109.943 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.2 153.16 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 124.281 1.032 . . . . 0.0 108.664 167.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.432 ' CZ3' ' HG3' ' A' ' 60' ' ' MET . 23.3 p90 -120.7 159.93 24.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.763 0.825 . . . . 0.0 109.408 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 41.5 mtt -70.98 155.12 41.2 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.403 0.621 . . . . 0.0 110.946 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.8 p -57.66 137.87 55.98 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 165.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.93 6.23 77.99 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-O 117.713 -1.604 . . . . 0.0 114.552 -176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.76 170.52 8.19 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 121.039 2.42 . . . . 0.0 110.694 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -79.12 148.77 32.25 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 127.368 2.267 . . . . 0.0 110.067 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.432 ' HG3' ' CZ3' ' A' ' 54' ' ' TRP . 7.2 ttm -63.88 -30.23 71.34 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.551 -0.718 . . . . 0.0 111.1 172.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.25 -19.39 65.51 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.451 -1.406 . . . . 0.0 111.823 173.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -9.76 59.03 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.117 0.871 . . . . 0.0 111.657 170.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 119.91 10.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 119.433 1.015 . . . . 0.0 111.222 -169.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.0 m -96.88 158.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.464 1.506 . . . . 0.0 109.64 -177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -64.82 124.25 21.48 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.381 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 60.1 tp -52.44 -25.81 11.04 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 165.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.7 p -79.99 -24.91 40.54 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 118.909 -1.116 . . . . 0.0 110.169 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.07 -46.66 22.9 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.11 -35.42 75.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 118.704 0.684 . . . . 0.0 111.386 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.8 -20.45 61.56 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.041 -1.037 . . . . 0.0 113.06 170.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -89.17 -47.65 7.93 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.791 1.237 . . . . 0.0 110.879 170.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.87 -14.09 41.98 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.982 1.313 . . . . 0.0 111.693 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.0 t -123.62 49.48 1.71 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 126.977 2.111 . . . . 0.0 109.03 175.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.39 173.58 19.54 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.431 1.015 . . . . 0.0 110.698 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.89 147.47 19.15 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.467 2.778 . . . . 0.0 109.746 165.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.3 t -57.88 104.82 0.21 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.236 1.414 . . . . 0.0 108.771 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.4 m 11.91 78.75 0.01 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 128.955 2.902 . . . . 0.0 115.177 -170.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 105.683 -2.967 . . . . 0.0 105.683 158.486 . . . . . . . . 0 0 . 1 stop_ save_